Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester
Basic information
- CAS
3078-93-1- Standard SMILES
COP(=S)(OC)Oc1ccc(S(=O)(=O)N2CCCC2)cc1- InChIKey
VXNROYLQCMFQJO-UHFFFAOYSA-N- Molecular formula
- C12H18NO5PS2
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.03640202
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester
- IUPAC
- dimethoxy-(4-pyrrolidin-1-ylsulfonylphenoxy)-sulfanylidene-λ5-phosphane
- English name
- Phosphorothioic acid O,O-dimethyl O-[4-(1-pyrrolidinylsulfonyl)phenyl] ester
- Molecular formula
- C12H18NO5PS2
- Molecular weight
- 351.38
Names & synonyms
BRN 1354885Phosphorothioic acid, O,O-dimethyl O-(p-(pyrrolidinylsulfonyl)phenyl) ester3078-93-1DTXSID10184800Pyrrolidine, 1-(p-hydroxybenzenesulfonyl)-, ester with dimethylphosphorothioateRefChem:371367DTXCID10107291O,O-Dimethyl O-[4-(pyrrolidine-1-sulfonyl)phenyl] phosphorothioatePhosphorothioic acid O,O-dimethyl O-[4-(1-pyrrolidinylsulfonyl)phenyl] esterPhosphorothioic acid, O,O-dimethyl ester, O-ester with 1-[(p-hydroxyphenyl)sulfonyl]pyrrolidine (7CI,8CI)
Database identifiers
- CAS
3078-93-1- PubChem CID
- 200997
- DTXSID
DTXSID10184800- Nikkaji
- J50.476I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 470
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Compound notes
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