Phosphorodithioic acid, O,O-diethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl)methyl) ester
Basic information
- CAS
38090-86-7- Standard SMILES
CCOc1nnc(CSP(=S)(OCC)OCC)s1- InChIKey
DPVSTXCZBAIHLX-UHFFFAOYSA-N- Molecular formula
- C9H17N2O3PS3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.01389293
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O,O-diethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl)methyl) ester
- IUPAC
- diethoxy-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
- English name
- Phosphorodithioic acid, O,O-diethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl )methyl) ester
- Molecular formula
- C9H17N2O3PS3
- Molecular weight
- 328.41
Names & synonyms
BRN 1007236Phosphorodithioic acid, O,O-diethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl)methyl) ester38090-86-7DTXSID10191493O,O-Diethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl)methyl) phosphorodithioateRefChem:371117DTXCID20113984s-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl] o,o-diethyl phosphorodithioatePhosphorodithioic acid, S-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl] O,O-diethyl esterPhosphorodithioic acid, O,O-diethyl S-((5-ethoxy-1,3,4-thiadiazol-2-yl )methyl) ester
Database identifiers
- CAS
38090-86-7- PubChem CID
- 217073
- DTXSID
DTXSID10191493
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 276
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Compound notes
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