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Azolines

Organic heterocyclic compounds that consist of a five-membered ring made up of four carbon atoms and one nitrogen atom, and only one carbon - carbon double bond.

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1

2-Mercapto-1-methylimidazole, 98%

CAS: 60-56-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.17 MDL Number: MFCD00179321 InChI Key: PMRYVIKBURPHAH-UHFFFAOYSA-N Synonym: methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol PubChem CID: 1349907 ChEBI: CHEBI:50673 IUPAC Name: 3-methyl-1H-imidazole-2-thione SMILES: CN1C=CNC1=S

PubChem CID 1349907
CAS 60-56-0
Molecular Weight (g/mol) 114.17
ChEBI CHEBI:50673
MDL Number MFCD00179321
SMILES CN1C=CNC1=S
Synonym methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol
IUPAC Name 3-methyl-1H-imidazole-2-thione
InChI Key PMRYVIKBURPHAH-UHFFFAOYSA-N
Molecular Formula C4H6N2S
2

2-Amino-5-bromothiazole hydrobromide, 97%

CAS: 61296-22-8 Molecular Formula: C3H4Br2N2S Molecular Weight (g/mol): 259.947 MDL Number: MFCD00012712 InChI Key: NUSVDASTCPBUIP-UHFFFAOYSA-N Synonym: 2-amino-5-bromothiazole hydrobromide,2-amino-5-bromothiazole monohydrobromide,5-bromothiazol-2-amine hydrobromide,5-bromo-1,3-thiazol-2-amine hydrobromide,5-bromo-thiazol-2-ylamine hydrobromide,2-amino-5-bromothiazole hbr,2-amino-5-bromo-1,3-thiazole hydrobromide,2-thiazolamine, 5-bromo-, monohydrobromide,5-bromo-1,3-thiazole-2-ylamine, bromide,acmc-209mr7 PubChem CID: 2723848 IUPAC Name: 5-bromo-1,3-thiazol-2-amine;hydrobromide SMILES: C1=C(SC(=N1)N)Br.Br

PubChem CID 2723848
CAS 61296-22-8
Molecular Weight (g/mol) 259.947
MDL Number MFCD00012712
SMILES C1=C(SC(=N1)N)Br.Br
Synonym 2-amino-5-bromothiazole hydrobromide,2-amino-5-bromothiazole monohydrobromide,5-bromothiazol-2-amine hydrobromide,5-bromo-1,3-thiazol-2-amine hydrobromide,5-bromo-thiazol-2-ylamine hydrobromide,2-amino-5-bromothiazole hbr,2-amino-5-bromo-1,3-thiazole hydrobromide,2-thiazolamine, 5-bromo-, monohydrobromide,5-bromo-1,3-thiazole-2-ylamine, bromide,acmc-209mr7
IUPAC Name 5-bromo-1,3-thiazol-2-amine;hydrobromide
InChI Key NUSVDASTCPBUIP-UHFFFAOYSA-N
Molecular Formula C3H4Br2N2S
3

2-Mercapto-1-methylimidazole, 98%

CAS: 60-56-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.17 MDL Number: MFCD00179321 InChI Key: PMRYVIKBURPHAH-UHFFFAOYSA-N Synonym: methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol PubChem CID: 1349907 ChEBI: CHEBI:50673 IUPAC Name: 3-methyl-1H-imidazole-2-thione SMILES: CN1C=CNC1=S

PubChem CID 1349907
CAS 60-56-0
Molecular Weight (g/mol) 114.17
ChEBI CHEBI:50673
MDL Number MFCD00179321
SMILES CN1C=CNC1=S
Synonym methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol
IUPAC Name 3-methyl-1H-imidazole-2-thione
InChI Key PMRYVIKBURPHAH-UHFFFAOYSA-N
Molecular Formula C4H6N2S
4

DL-Theanine, TRC

CAS: 34271-54-0 Molecular Formula: C7H14N2O3 Molecular Weight (g/mol): 174.2 Synonym: Glutamine, N-ethyl- (9CI, ACI),DL-Glutamine, N-ethyl- (ZCI),Glutamine, N-ethyl-, DL- (8CI),N-Ethylglutamine (ACI),2-Amino-5-(ethylamino)-5-oxopentanoic acid,DL-Theanine,N-Ethyl-DL-glutamine IUPAC Name: 2-amino-5-(ethylamino)-5-oxopentanoic acid SMILES: CCNC(=O)CCC(N)C(=O)O

CAS 34271-54-0
Molecular Weight (g/mol) 174.2
SMILES CCNC(=O)CCC(N)C(=O)O
Synonym Glutamine, N-ethyl- (9CI, ACI),DL-Glutamine, N-ethyl- (ZCI),Glutamine, N-ethyl-, DL- (8CI),N-Ethylglutamine (ACI),2-Amino-5-(ethylamino)-5-oxopentanoic acid,DL-Theanine,N-Ethyl-DL-glutamine
IUPAC Name 2-amino-5-(ethylamino)-5-oxopentanoic acid
Molecular Formula C7H14N2O3
5

Bispyrazolone, TRC

CAS: 7477-67-0 Molecular Formula: C20 H18 N4 O2 Molecular Weight (g/mol): 346.38 Synonym: 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-diphenyl-[4,4'-Bi-3H-pyrazole]-3,3'-dione,3,3'-Dimethyl-1,1'-diphenyl-[4,4'-bi-2-pyrazoline]-5,5'-dione,4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone),NSC 37393,NSC 401001,Edaravone dimer IUPAC Name: 5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenyl-4H-pyrazol-3-one SMILES: CC1=NN(C(=O)C1C2C(=NN(C2=O)c3ccccc3)C)c4ccccc4

CAS 7477-67-0
Molecular Weight (g/mol) 346.38
SMILES CC1=NN(C(=O)C1C2C(=NN(C2=O)c3ccccc3)C)c4ccccc4
Synonym 2,2',4,4'-Tetrahydro-5,5'-dimethyl-2,2'-diphenyl-[4,4'-Bi-3H-pyrazole]-3,3'-dione,3,3'-Dimethyl-1,1'-diphenyl-[4,4'-bi-2-pyrazoline]-5,5'-dione,4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone),NSC 37393,NSC 401001,Edaravone dimer
IUPAC Name 5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenyl-4H-pyrazol-3-one
Molecular Formula C20 H18 N4 O2
6

2-Benzyl-4,4-dimethyl-2-oxazoline, 95%, Thermo Scientific™

CAS: 1569-08-0 Molecular Formula: C12H15NO Molecular Weight (g/mol): 189.258 MDL Number: MFCD00102140 InChI Key: GPBCTHQIXXYBHQ-UHFFFAOYSA-N PubChem CID: 98710 IUPAC Name: 2-benzyl-4,4-dimethyl-5H-1,3-oxazole SMILES: CC1(COC(=N1)CC2=CC=CC=C2)C

PubChem CID 98710
CAS 1569-08-0
Molecular Weight (g/mol) 189.258
MDL Number MFCD00102140
SMILES CC1(COC(=N1)CC2=CC=CC=C2)C
IUPAC Name 2-benzyl-4,4-dimethyl-5H-1,3-oxazole
InChI Key GPBCTHQIXXYBHQ-UHFFFAOYSA-N
Molecular Formula C12H15NO
7

2-sec-Butyl-4,5-dimethyl-3-thiazoline, 98%, Thermo Scientific™

CAS: 65894-82-8 Molecular Formula: C9H17NS Molecular Weight (g/mol): 171.30 MDL Number: MFCD01680858 InChI Key: FLBOQJFNAYJWIA-UHFFFAOYNA-N Synonym: 2-2-butyl-4,5-dimethyl-3-thiazoline,2-sec-butyl-4,5-dimethyl-2,5-dihydrothiazole,2,5-dihydro-4,5-dimethyl-2-1-methylpropyl thiazole,2-sec-butyl-4,5-dimethyl-3-thiazoline,4,5-dimethyl-2-sec-butyl-2,5-dihydro-1,3-thiazole,dsstox_cid_27156,dsstox_rid_82157,dsstox_gsid_47156,4,5-dimethyl-2-sec-butyl-2,5-dihydrothiazole,thiazole,2,5-dihydro-4,5-dimethyl-2-1-methylpropyl PubChem CID: 5362564 SMILES: CCC(C)C1SC(C)C(C)=N1

PubChem CID 5362564
CAS 65894-82-8
Molecular Weight (g/mol) 171.30
MDL Number MFCD01680858
SMILES CCC(C)C1SC(C)C(C)=N1
Synonym 2-2-butyl-4,5-dimethyl-3-thiazoline,2-sec-butyl-4,5-dimethyl-2,5-dihydrothiazole,2,5-dihydro-4,5-dimethyl-2-1-methylpropyl thiazole,2-sec-butyl-4,5-dimethyl-3-thiazoline,4,5-dimethyl-2-sec-butyl-2,5-dihydro-1,3-thiazole,dsstox_cid_27156,dsstox_rid_82157,dsstox_gsid_47156,4,5-dimethyl-2-sec-butyl-2,5-dihydrothiazole,thiazole,2,5-dihydro-4,5-dimethyl-2-1-methylpropyl
InChI Key FLBOQJFNAYJWIA-UHFFFAOYNA-N
Molecular Formula C9H17NS
8

2-Ethyl-4,5-dimethyl-3-thiazoline, cis + trans, 99%, Thermo Scientific™

CAS: 76788-46-0 Molecular Formula: C7H13NS Molecular Weight (g/mol): 143.248 MDL Number: MFCD01680822 InChI Key: CSACPVARWHDAET-UHFFFAOYSA-N Synonym: 2-ethyl-4,5-dimethyl-2,5-dihydrothiazole,4,5-dimethyl-2-ethyl-3-thiazoline,2-ethyl-2,5-dihydro-4,5-dimethylthiazole,2-ethyl-4,5-dimethyl-3-thiazoline,2-ethyl-4,5-dimethyl thiazoline,fema no. 3620,3-thiazoline, 2-ethyl-4,5-dimethyl,3-thiazoline, 4,5-dimethyl-2-ethyl,thiazole, 2,5-dihydro-4,5-dimethyl-2-ethyl,thiazole, 2-ethyl-2,5-dihydro-4,5-dimethyl PubChem CID: 5362584 IUPAC Name: 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole SMILES: CCC1N=C(C(S1)C)C

PubChem CID 5362584
CAS 76788-46-0
Molecular Weight (g/mol) 143.248
MDL Number MFCD01680822
SMILES CCC1N=C(C(S1)C)C
Synonym 2-ethyl-4,5-dimethyl-2,5-dihydrothiazole,4,5-dimethyl-2-ethyl-3-thiazoline,2-ethyl-2,5-dihydro-4,5-dimethylthiazole,2-ethyl-4,5-dimethyl-3-thiazoline,2-ethyl-4,5-dimethyl thiazoline,fema no. 3620,3-thiazoline, 2-ethyl-4,5-dimethyl,3-thiazoline, 4,5-dimethyl-2-ethyl,thiazole, 2,5-dihydro-4,5-dimethyl-2-ethyl,thiazole, 2-ethyl-2,5-dihydro-4,5-dimethyl
IUPAC Name 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
InChI Key CSACPVARWHDAET-UHFFFAOYSA-N
Molecular Formula C7H13NS