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

HCID 217072

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Basic information

CAS: 38090-85-6
Standard SMILES: CCOc1nnc(CSP(=S)(OC)OC)s1
InChIKey: XKJGMRRNNWRMPF-UHFFFAOYSA-N
Molecular formula: C7H13N2O3PS3
Average molar mass: 300.4 g/mol
Monoisotopic mass: 299.9825928

Names & identifiers

Preferred name: Phosphorodithioic acid, O,O-dimethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl)methyl) ester
IUPAC: (5-ethoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane

Names & synonyms

BRN 1000225O,O-Dimethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioate38090-85-6Phosphorodithioic acid, O,O-dimethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl)methyl) esterRefChem:371171s-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl] o,o-dimethyl phosphorodithioateDTXSID50959034

Database identifiers

CAS: 38090-85-6
PubChem CID: 217072
DTXSID: DTXSID50959034

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 139 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 251

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