S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate

HCID 75122

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Basic information

CAS: 2178-97-4
Standard SMILES: CCCCSc1nnc(SC(=O)OCC)s1
InChIKey: BNLQCEFCOJBPRR-UHFFFAOYSA-N
Molecular formula: C9H14N2O2S3
Average molar mass: 278.4 g/mol
Monoisotopic mass: 278.02174121

Names & identifiers

Preferred name: S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
IUPAC: ethyl (5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylformate
English name: S-[5-(butylthio)-1,3,4-thiadiazol-2-yl] O-ethyl thiocarbonate
Molecular formula: C9H14N2O2S3
Molecular weight: 278.41466

Names & synonyms

2178-97-4S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonateEINECS 218-544-4S-[5-(butylthio)-1,3,4-thiadiazol-2-yl] O-ethyl thiocarbonateDTXSID30176181BNLQCEFCOJBPRR-UHFFFAOYSA-NNS00026967S-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl] O-ethyl carbonothioateThiocarbonic acid S-[5-(butylthio)-1,3,4-thiadiazol-2-yl]O-ethyl esterCarbonothioic acid, S-[5-(butylthio)-1,3,4-thiadiazol-2-yl] O-ethyl ester

Database identifiers

CAS: 2178-97-4
PubChem CID: 75122
DTXSID: DTXSID30176181
EC Number: 218-544-4
Nikkaji: J299.146B

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 131 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 219

Chemistry & industry

Suppliers1 total

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]

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