Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester
Basic information
- CAS
36511-57-6- Standard SMILES
COP(=S)(OC)Sc1cc(C)cc(SP(=S)(OC)OC)c1- InChIKey
XLNZSRUEQPQQFM-UHFFFAOYSA-N- Molecular formula
- C11H18O4P2S4
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 403.95631774
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl ester
- IUPAC
- (3-dimethoxyphosphinothioylsulfanyl-5-methylphenyl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Names & synonyms
36511-57-6DTXSID70957815OMS-437Phosphorodithioic acid, S,S'-(methylphenylene) O,O,O',O'-tetramethyl esterO,O,O',O'-Tetramethyl S,S'-(5-methyl-1,3-phenylene) bis(phosphorodithioate)Phosphorodithioic acid, O,O,O',O'-tetramethyl S,S'-(5-methyl-1,3-phenylene) ester
Database identifiers
- CAS
36511-57-6- PubChem CID
- 190355
- DTXSID
DTXSID70957815
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
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Related reactions
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Compound notes
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