Phosphorothioic acid, O-(3-chloro-4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl ester
Basic information
- CAS
2490-93-9- Standard SMILES
COP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)c(Cl)c1- InChIKey
TYRZMQWVHVYEFD-UHFFFAOYSA-N- Molecular formula
- C10H15ClNO5PS2
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 358.9817796
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-(3-chloro-4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl ester
- IUPAC
- 2-chloro-4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Names & synonyms
2490-93-9RefChem:1095505Phosphorothioic acid, O-(3-chloro-4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl esterBRN 2174452Phosphorothioic acid, O,O-dimethyl ester, O-ester with 2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamideDTXSID50947794O-[3-Chloro-4-(dimethylsulfamoyl)phenyl] O,O-dimethyl phosphorothioate
Database identifiers
- CAS
2490-93-9- PubChem CID
- 200670
- DTXSID
DTXSID50947794
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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