Basic information
- CAS
3356-57-8- Standard SMILES
COP(=S)(OC)Oc1ccc(SSc2ccc(OP(=S)(OC)OC)cc2)cc1- InChIKey
NCPYQDKEACAFNC-UHFFFAOYSA-N- Molecular formula
- C16H20O6P2S4
- Average molar mass
- 498.5 g/mol
- Monoisotopic mass
- 497.96179704
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O'-(dithiodi-p-phenylene) O,O,O',O'-tetramethyl ester
- IUPAC
- [4-[(4-dimethoxyphosphinothioyloxyphenyl)disulfanyl]phenoxy]-dimethoxy-sulfanylidene-λ5-phosphane
- English name
- [Dithiobis(4,1-phenyleneoxy)]bis(phosphonothioic acid O,O-dimethyl) ester
- Molecular weight
- 0
Names & synonyms
ArsimBayer 64995BAY 64995ENT 27,330BRN 2315550AI3-273303356-57-8O,O'-(Dithio-4,1-phenylene)bis(O,O'-dimethylphosphate)O,O-Dimethyl phosphorothioate O,O-diester with 4,4'-dithiodiphenolPhosphorothioic acid, O,O'-(dithio-4,1-phenylene) O,O,O',O'-tetramethyl esterPhosphorothioic acid, O,O'-(dithiodi-p-phenylene) O,O,O',O'-tetramethyl esterPhosphorothioic acid, O,O'-(dithiodi-4,1-phenylene) O,O,O',O'-tetramethyl ester
Show more names
BAY-64995ENT-27330Bayer-64995[Dithiobis(4,1-phenyleneoxy)]bis(phosphonothioic acid O,O-dimethyl) ester
RefChem:371231SCHEMBL30412917DTXSID20955189O,O'-[Disulfanediyldi(4,1-phenylene)] O,O,O',O'-tetramethyl bis(phosphorothioate)
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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