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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Heteroaromatic compounds (81)
Pyridines and derivatives (35)
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1

Thermo Scientific Chemicals 1-Methylimidazole, for biochemistry, anhydrous, AcroSeal™

CAS: 616-47-7 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005292 InChI Key: MCTWTZJPVLRJOU-UHFFFAOYSA-N IUPAC Name: 1-methyl-1H-imidazole SMILES: CN1C=CN=C1

CAS 616-47-7
Molecular Weight (g/mol) 82.11
MDL Number MFCD00005292
SMILES CN1C=CN=C1
IUPAC Name 1-methyl-1H-imidazole
InChI Key MCTWTZJPVLRJOU-UHFFFAOYSA-N
Molecular Formula C4H6N2
2

Pyridine, 99.8%, for biochemistry, AcroSeal™, Thermo Scientific Chemicals

CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.1 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1

PubChem CID 1049
CAS 110-86-1
Molecular Weight (g/mol) 79.1
ChEBI CHEBI:16227
SMILES C1=CC=NC=C1
Synonym azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717
IUPAC Name pyridine
InChI Key JUJWROOIHBZHMG-UHFFFAOYSA-N
Molecular Formula C5H5N
3

Pyridine, 99+%, for analysis

CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.1 MDL Number: MFCD00011732 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1

PubChem CID 1049
CAS 110-86-1
Molecular Weight (g/mol) 79.1
ChEBI CHEBI:16227
MDL Number MFCD00011732
SMILES C1=CC=NC=C1
Synonym azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717
IUPAC Name pyridine
InChI Key JUJWROOIHBZHMG-UHFFFAOYSA-N
Molecular Formula C5H5N
4

Thermo Scientific Chemicals D(+)-Biotin, 98%

CAS: 58-85-5 Molecular Formula: C10H16N2O3S Molecular Weight (g/mol): 244.31 MDL Number: MFCD00005541 InChI Key: YBJHBAHKTGYVGT-UHFFFAOYNA-N Synonym: biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin PubChem CID: 171548 ChEBI: CHEBI:15956 IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid SMILES: OC(=O)CCCCC1SCC2NC(=O)NC12

EDGE
PubChem CID 171548
CAS 58-85-5
Molecular Weight (g/mol) 244.31
ChEBI CHEBI:15956
MDL Number MFCD00005541
SMILES OC(=O)CCCCC1SCC2NC(=O)NC12
Synonym biotin,d-biotin,vitamin h,coenzyme r,vitamin b7,bios ii,factor s,bioepiderm,d +-biotin,biodermatin
IUPAC Name 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI Key YBJHBAHKTGYVGT-UHFFFAOYNA-N
Molecular Formula C10H16N2O3S
5

N-Vinyl-2-pyrrolidone, 99%, stabilized with NaOH

CAS: 88-12-0 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD00003197 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: C=CN1CCCC1=O

EDGE
PubChem CID 6917
CAS 88-12-0
Molecular Weight (g/mol) 111.14
ChEBI CHEBI:82551
MDL Number MFCD00003197
SMILES C=CN1CCCC1=O
Synonym n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone
IUPAC Name 1-ethenylpyrrolidin-2-one
InChI Key WHNWPMSKXPGLAX-UHFFFAOYSA-N
Molecular Formula C6H9NO
6

Xanthine, 98%

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.11 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

EDGE
PubChem CID 1188
CAS 69-89-6
Molecular Weight (g/mol) 152.11
ChEBI CHEBI:17712
MDL Number MFCD00078453
SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
IUPAC Name 3,7-dihydropurine-2,6-dione
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula C5H4N4O2
7

2-(1-Naphthyl)-5-phenyloxazole, laser grade and suitable for scintillation spectrometry, 99+%

CAS: 846-63-9 Molecular Formula: C19H13NO Molecular Weight (g/mol): 271.319 MDL Number: MFCD00019714 InChI Key: WWVFJJKBBZXWFV-UHFFFAOYSA-N Synonym: 2-1-naphthyl-5-phenyloxazole,alpha-npo,oxazole, 2-1-naphthalenyl-5-phenyl,2-1-naphthyl-5-phenyl-1,3-oxazole,2-naphthalen-1-yl-5-phenyloxazole,oxazole, 2-1-naphthyl-5-phenyl,.alpha.-npo,anpo,2-alpha-naphthyl-5-phenyloxazole,2-naphthalen-1-yl-5-phenyl-1,3-oxazole PubChem CID: 70058 IUPAC Name: 2-naphthalen-1-yl-5-phenyl-1,3-oxazole SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43

PubChem CID 70058
CAS 846-63-9
Molecular Weight (g/mol) 271.319
MDL Number MFCD00019714
SMILES C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC4=CC=CC=C43
Synonym 2-1-naphthyl-5-phenyloxazole,alpha-npo,oxazole, 2-1-naphthalenyl-5-phenyl,2-1-naphthyl-5-phenyl-1,3-oxazole,2-naphthalen-1-yl-5-phenyloxazole,oxazole, 2-1-naphthyl-5-phenyl,.alpha.-npo,anpo,2-alpha-naphthyl-5-phenyloxazole,2-naphthalen-1-yl-5-phenyl-1,3-oxazole
IUPAC Name 2-naphthalen-1-yl-5-phenyl-1,3-oxazole
InChI Key WWVFJJKBBZXWFV-UHFFFAOYSA-N
Molecular Formula C19H13NO
8

Pyrrole, 99%, extra pure

CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1

PubChem CID 8027
CAS 109-97-7
Molecular Weight (g/mol) 67.09
ChEBI CHEBI:19203
MDL Number MFCD00005216
SMILES N1C=CC=C1
Synonym pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c
IUPAC Name 1H-pyrrole
InChI Key KAESVJOAVNADME-UHFFFAOYSA-N
Molecular Formula C4H5N
9

3,4-Dihydro-2H-pyran, 99%

CAS: 110-87-2 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00006558 InChI Key: BUDQDWGNQVEFAC-UHFFFAOYSA-N Synonym: dihydropyran,3,4-dihydropyran,2,3-dihydropyran,2h-3,4-dihydropyran,2,3-dihydro-4h-pyran,dihydro-2h-pyran,2h-pyran, dihydro,2h-pyran, 3,4-dihydro,5,6-dihydro-4h-pyran,dihydropyrane PubChem CID: 8080 IUPAC Name: 3,4-dihydro-2H-pyran SMILES: C1CC=COC1

PubChem CID 8080
CAS 110-87-2
Molecular Weight (g/mol) 84.12
MDL Number MFCD00006558
SMILES C1CC=COC1
Synonym dihydropyran,3,4-dihydropyran,2,3-dihydropyran,2h-3,4-dihydropyran,2,3-dihydro-4h-pyran,dihydro-2h-pyran,2h-pyran, dihydro,2h-pyran, 3,4-dihydro,5,6-dihydro-4h-pyran,dihydropyrane
IUPAC Name 3,4-dihydro-2H-pyran
InChI Key BUDQDWGNQVEFAC-UHFFFAOYSA-N
Molecular Formula C5H8O
10

2-Ethylimidazole, 99%

CAS: 1072-62-4 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005192 InChI Key: PQAMFDRRWURCFQ-UHFFFAOYSA-N Synonym: 2-ethylimidazole,1h-imidazole, 2-ethyl,imidazole, 2-ethyl,2-ethylimidazole 98+%,2ez,2-ethylimdazole,2-ethyl imidazole,2-ethyl-imidazole,pubchem15972 PubChem CID: 66130 IUPAC Name: 2-ethyl-1H-imidazole SMILES: CCC1=NC=CN1

PubChem CID 66130
CAS 1072-62-4
Molecular Weight (g/mol) 96.13
MDL Number MFCD00005192
SMILES CCC1=NC=CN1
Synonym 2-ethylimidazole,1h-imidazole, 2-ethyl,imidazole, 2-ethyl,2-ethylimidazole 98+%,2ez,2-ethylimdazole,2-ethyl imidazole,2-ethyl-imidazole,pubchem15972
IUPAC Name 2-ethyl-1H-imidazole
InChI Key PQAMFDRRWURCFQ-UHFFFAOYSA-N
Molecular Formula C5H8N2
11

Thiophene, 99+%, extra pure

CAS: 110-02-1 Molecular Formula: C4H4S Molecular Weight (g/mol): 84.14 MDL Number: MFCD00005413 InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N Synonym: thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio PubChem CID: 8030 ChEBI: CHEBI:30856 IUPAC Name: thiophene SMILES: S1C=CC=C1

PubChem CID 8030
CAS 110-02-1
Molecular Weight (g/mol) 84.14
ChEBI CHEBI:30856
MDL Number MFCD00005413
SMILES S1C=CC=C1
Synonym thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio
IUPAC Name thiophene
InChI Key YTPLMLYBLZKORZ-UHFFFAOYSA-N
Molecular Formula C4H4S
12

Flavone, 99+%

CAS: 525-82-6 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.24 InChI Key: VHBFFQKBGNRLFZ-UHFFFAOYSA-N Synonym: flavone,2-phenylchromone,2-phenyl-4h-chromen-4-one,2-phenyl-4-chromone,2-phenyl-4-benzopyron,2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2-phenyl,asmacoril,chromocor,cromaril PubChem CID: 10680 ChEBI: CHEBI:42491 IUPAC Name: 2-phenylchromen-4-one SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

PubChem CID 10680
CAS 525-82-6
Molecular Weight (g/mol) 222.24
ChEBI CHEBI:42491
SMILES C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2
Synonym flavone,2-phenylchromone,2-phenyl-4h-chromen-4-one,2-phenyl-4-chromone,2-phenyl-4-benzopyron,2-phenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 2-phenyl,asmacoril,chromocor,cromaril
IUPAC Name 2-phenylchromen-4-one
InChI Key VHBFFQKBGNRLFZ-UHFFFAOYSA-N
Molecular Formula C15H10O2
13

Thermo Scientific Chemicals Allopurinol, 98%

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N Synonym: allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin PubChem CID: 2094 ChEBI: CHEBI:40279 IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

PubChem CID 2094
CAS 315-30-0
Molecular Weight (g/mol) 136.11
ChEBI CHEBI:40279
MDL Number MFCD00599413
SMILES O=C1N=CN=C2NNC=C12
Synonym allopurinol,1h-pyrazolo 3,4-d pyrimidin-4-ol,zyloprim,zyloric,lopurin,atisuril,bleminol,caplenal,uripurinol,embarin
IUPAC Name 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
14

1,4-Diazabicyclo[2.2.2]octane, 97%

CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.17 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2

PubChem CID 9237
CAS 280-57-9
Molecular Weight (g/mol) 112.17
MDL Number MFCD00006689
SMILES C1CN2CCN1CC2
Synonym 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25
IUPAC Name 1,4-diazabicyclo[2.2.2]octane
InChI Key IMNIMPAHZVJRPE-UHFFFAOYSA-N
Molecular Formula C6H12N2
15

Thianaphthene, 97%

CAS: 95-15-8 Molecular Formula: C8H6S Molecular Weight (g/mol): 134.2 MDL Number: MFCD00005864 InChI Key: FCEHBMOGCRZNNI-UHFFFAOYSA-N Synonym: benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen PubChem CID: 7221 ChEBI: CHEBI:35858 IUPAC Name: 1-benzothiophene SMILES: C1=CC=C2C(=C1)C=CS2

PubChem CID 7221
CAS 95-15-8
Molecular Weight (g/mol) 134.2
ChEBI CHEBI:35858
MDL Number MFCD00005864
SMILES C1=CC=C2C(=C1)C=CS2
Synonym benzo b thiophene,thianaphthene,benzothiophene,benzothiofuran,thionaphthene,1-thiaindene,thianaphthen,benzothiophen,thianaphtene,1-benzothiophen
IUPAC Name 1-benzothiophene
InChI Key FCEHBMOGCRZNNI-UHFFFAOYSA-N
Molecular Formula C8H6S