Basic information
- CAS
3077-60-9- Standard SMILES
CCOP(=S)(Oc1ccc(S(=O)(=O)N(C)C)cc1)Oc1ccc(S(=O)(=O)N(C)C)cc1- InChIKey
QDAQLWKMUZYZAL-UHFFFAOYSA-N- Molecular formula
- C18H25N2O7PS3
- Average molar mass
- 508.6 g/mol
- Monoisotopic mass
- 508.05615166
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-ethyl ester, O,O-ester with bis(N,N-dimethyl-p-hydroxybenzenesulfonamide)
- IUPAC
- 4-[[4-(dimethylsulfamoyl)phenoxy]-ethoxyphosphinothioyl]oxy-N,N-dimethylbenzenesulfonamide
- English name
- Phosphorothioic acid O-ethyl O,O-bis[p-(N,N-dimethylsulfamoyl)phenyl] ester
- Molecular formula
- C18H25N2O7PS3
- Molecular weight
- 508.57
Names & synonyms
3077-60-9Phosphorothioic acid, O-ethyl ester, O,O-ester with bis(N,N-dimethyl-p-hydroxybenzenesulfonamide)O,O-(Bis(N,N-dimethyl-p-sulfamoyl)phenyl) O-ethyl phosphorothioateDTXSID70184785RefChem:371429DTXCID10107276O,O-bis[4-(dimethylsulfamoyl)phenyl] O-ethyl phosphorothioatePhosphorothioic acid O-ethyl O,O-bis[p-(N,N-dimethylsulfamoyl)phenyl] esterPhosphorothioic acid, O-ethyl ester, O,O-diester with p-hydroxy-N,N-dimethylbenzenesulfonamide (7CI,8CI)
Database identifiers
- CAS
3077-60-9- PubChem CID
- 200993
- DTXSID
DTXSID70184785- Nikkaji
- J50.482C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Boiling point
- 593.1 · 593.1±60.0 °C(Predicted)
- Density
- 1.382 · 1.382±0.06 g/cm3(Predicted)
- pka
- -4.97 · -4.97±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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