Phosphorothioic acid, O,O-dimethyl ester, O-ester with N-butyl-p-hydroxybenzenesulfonamide
Basic information
- CAS
3078-85-1- Standard SMILES
CCCCNS(=O)(=O)c1ccc(OP(=S)(OC)OC)cc1- InChIKey
HTQIEXVOHZYCJE-UHFFFAOYSA-N- Molecular formula
- C12H20NO5PS2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.05205208
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl ester, O-ester with N-butyl-p-hydroxybenzenesulfonamide
- IUPAC
- N-butyl-4-dimethoxyphosphinothioyloxybenzenesulfonamide
- English name
- Phosphorothioic acid O,O-dimethyl O-[4-(butylsulfamoyl)phenyl] ester
- Molecular formula
- C12H20NO5PS2
- Molecular weight
- 353.39
Names & synonyms
Phosphorothioic acid, O,O-dimethyl ester, O-ester with N-butyl-p-hydroxybenzenesulfonamide3078-85-1O-p-(Butylsulfamoyl)phenyl O,O-dimethyl phosphorothioateDTXSID00184798Benzenesulfonamide, N-butyl-p-hydroxy-, O-ester with O,O-dimethylphosphorothioateRefChem:371343DTXCID40107289O-[4-(Butylsulfamoyl)phenyl] O,O-dimethyl phosphorothioatePhosphorothioic acid O,O-dimethyl O-[4-(butylsulfamoyl)phenyl] esterPhosphorothioic acid, O,O-dimethyl ester, O-ester with N-butyl-p-hydroxybenzenesulfonamide (7CI,8CI)
Database identifiers
- CAS
3078-85-1- PubChem CID
- 200995
- DTXSID
DTXSID00184798- Nikkaji
- J50.473D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 430.4 · 430.4±55.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 11.56 · 11.56±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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