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Thiocyanates

Organosulfur compounds that contain a thiocyanate functional group, or thiocyanate ion; thiocyanate consists of a sulfur atom bonded to a carbon atom that is bonded to a nitrogen atom in a triple bond (cyanide functional group).

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1

Cyclopentyl thiocyanate, 95%, Thermo Scientific™

CAS: 5263-57-0 Molecular Formula: C6H9NS Molecular Weight (g/mol): 127.21 MDL Number: MFCD11100558 InChI Key: ZTZNTHBAUFZQGQ-UHFFFAOYSA-N Synonym: cyclopentanethiocyanate,cyclopentylsulfanyl formonitrile,cyclopentylrhodanid PubChem CID: 12376019 IUPAC Name: cyclopentyl thiocyanate SMILES: N#CSC1CCCC1

PubChem CID 12376019
CAS 5263-57-0
Molecular Weight (g/mol) 127.21
MDL Number MFCD11100558
SMILES N#CSC1CCCC1
Synonym cyclopentanethiocyanate,cyclopentylsulfanyl formonitrile,cyclopentylrhodanid
IUPAC Name cyclopentyl thiocyanate
InChI Key ZTZNTHBAUFZQGQ-UHFFFAOYSA-N
Molecular Formula C6H9NS
2

2,4-Dinitrophenyl thiocyanate, 98%, Thermo Scientific Chemicals

CAS: 1594-56-5 Molecular Formula: C7H3N3O4S Molecular Weight (g/mol): 225.178 MDL Number: MFCD00047702 InChI Key: XQDQRCRASHAZBA-UHFFFAOYSA-N Synonym: dntb,nirit,trirodazeen,gryzbol,grzybol,2,4-dinitrothiocyanobenzene,nirit supra,tri-rodazene,2,4-dinitrothiocyanatobenzene,rhodandinitrobenzol PubChem CID: 15325 ChEBI: CHEBI:53051 IUPAC Name: (2,4-dinitrophenyl) thiocyanate SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC#N

PubChem CID 15325
CAS 1594-56-5
Molecular Weight (g/mol) 225.178
ChEBI CHEBI:53051
MDL Number MFCD00047702
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC#N
Synonym dntb,nirit,trirodazeen,gryzbol,grzybol,2,4-dinitrothiocyanobenzene,nirit supra,tri-rodazene,2,4-dinitrothiocyanatobenzene,rhodandinitrobenzol
IUPAC Name (2,4-dinitrophenyl) thiocyanate
InChI Key XQDQRCRASHAZBA-UHFFFAOYSA-N
Molecular Formula C7H3N3O4S
3

1-[2-(Boc-amino)ethyl]indole-6-carboxylic acid, 97%, Thermo Scientific™

CAS: 885266-67-1 Molecular Formula: C9H5N3O2S Molecular Weight (g/mol): 219.218 MDL Number: MFCD04973974 InChI Key: FDQWHYSXVRDVMV-UHFFFAOYSA-N Synonym: 4-nitro-1h-indol-3-yl sulfanyl formonitrile PubChem CID: 24720942 IUPAC Name: (4-nitro-1H-indol-3-yl) thiocyanate SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)SC#N

PubChem CID 24720942
CAS 885266-67-1
Molecular Weight (g/mol) 219.218
MDL Number MFCD04973974
SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])C(=CN2)SC#N
Synonym 4-nitro-1h-indol-3-yl sulfanyl formonitrile
IUPAC Name (4-nitro-1H-indol-3-yl) thiocyanate
InChI Key FDQWHYSXVRDVMV-UHFFFAOYSA-N
Molecular Formula C9H5N3O2S
5

Alfa Aesar™ n-Dodecyl thiocyanate, 97%

CAS: 765-15-1 Molecular Formula: C13H25NS Molecular Weight (g/mol): 227.41 MDL Number: MFCD00019773 InChI Key: RYZZMYXTNUJGMU-UHFFFAOYSA-N Synonym: lauryl thiocyanate,n-dodecyl thiocyanate,thiocyanic acid, dodecyl ester,lauryl rhodanate,lorol thiocyanate,laurylrhodanide,loro,dodecane, 1-thiocyanato,laurylthiokyanat,1-dodecyl thiocyanate PubChem CID: 69827 IUPAC Name: dodecyl thiocyanate SMILES: CCCCCCCCCCCCSC#N

PubChem CID 69827
CAS 765-15-1
Molecular Weight (g/mol) 227.41
MDL Number MFCD00019773
SMILES CCCCCCCCCCCCSC#N
Synonym lauryl thiocyanate,n-dodecyl thiocyanate,thiocyanic acid, dodecyl ester,lauryl rhodanate,lorol thiocyanate,laurylrhodanide,loro,dodecane, 1-thiocyanato,laurylthiokyanat,1-dodecyl thiocyanate
IUPAC Name dodecyl thiocyanate
InChI Key RYZZMYXTNUJGMU-UHFFFAOYSA-N
Molecular Formula C13H25NS