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

HCID 217079

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Basic information

CAS: 38090-93-6
Standard SMILES: CCOP(=S)(OCC)SCc1nnc(SC)s1
InChIKey: GSSADUDMBDVDRY-UHFFFAOYSA-N
Molecular formula: C8H15N2O2PS4
Average molar mass: 330.5 g/mol
Monoisotopic mass: 329.97539942

Names & identifiers

Preferred name: Phosphorodithioic acid, O,O-diethyl S-((5-(methylthio)-1,3,4-thiadiazol-2-yl)methyl) ester
IUPAC: diethoxy-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
English name: diethoxy-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulf anylidene-phosphorane
Molecular formula: C8H15N2O2PS4
Molecular weight: 330.45

Names & synonyms

BRN 1005693Phosphorodithioic acid, O,O-diethyl S-((5-(methylthio)-1,3,4-thiadiazol-2-yl)methyl) ester38090-93-6DTXSID30191495O,O-Diethyl S-((5-(methylthio)-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioateRefChem:371116DTXCID40113986o,o-diethyl s-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]methyl} phosphorodithioatePhosphorodithioic acid, O,O-diethyl S-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]methyl] esterdiethoxy-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulf anylidene-phosphorane

Database identifiers

CAS: 38090-93-6
PubChem CID: 217079
DTXSID: DTXSID30191495

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 155 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 262

Chemistry & industry

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HONEST JOY HOLDINGS LIMITED[email protected]

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