Phosphorodithioic acid, O,O-dimethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester

HCID 217088

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Basic information

CAS: 38091-02-0
Standard SMILES: C=CCSc1nnc(CSP(=S)(OC)OC)s1
InChIKey: XTFVSIAEVGWVIC-UHFFFAOYSA-N
Molecular formula: C8H13N2O2PS4
Average molar mass: 328.4 g/mol
Monoisotopic mass: 327.95974935

Names & identifiers

Preferred name: Phosphorodithioic acid, O,O-dimethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
IUPAC: dimethoxy-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
English name: dimethoxy-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl ]-sulfanylidene-phosphorane
Molecular formula: C8H13N2O2PS4
Molecular weight: 328.434781

Names & synonyms

BRN 100772538091-02-0Phosphorodithioic acid, O,O-dimethyl S-((5-(2-propenylthio)-1,3,4-thiadiazol-2-yl)methyl) esterRefChem:371168DTXSID80959042O,O-Dimethyl S-({5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}methyl) phosphorodithioatedimethoxy-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl ]-sulfanylidene-phosphorane

Database identifiers

CAS: 38091-02-0
PubChem CID: 217088
DTXSID: DTXSID80959042

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 155 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 287

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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