Basic information
- CAS
1713-54-8- Standard SMILES
COP(=S)(OC)Oc1ccc(S(=O)(=O)NC(C)C)cc1- InChIKey
FLEMBQBTBMFRHO-UHFFFAOYSA-N- Molecular formula
- C11H18NO5PS2
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.03640202
Names & identifiers
- Preferred name
- Ent 25642
- IUPAC
- 4-dimethoxyphosphinothioyloxy-N-propan-2-ylbenzenesulfonamide
- English name
- Phosphorothioic acid=O,O-dimethyl=O-[4-[[(1-methylethyl)amino]sulfonyl]phenyl] ester
- Molecular formula
- C11H18NO5PS2
- Molecular weight
- 339.37
Names & synonyms
1713-54-8ENT 25642O-(4-(((1-Methylethyl)amino)sulfonyl)phenyl) phosphorothioateBRN 2168785American cyanamid CL-35,217ENT 25,642CL-35217AC 35,217O-p(Isopropylsulfamoyl)phenyl-O,O-dimethylphosphorothioateBenzenesulfonamide, p-hydroxy-N-isopropyl-, O-ester with O,O-dimethyl phosphorothioatePhosphorothioic acid, O,O-dimethyl ester, O-ester with p-hydroxy-N-isopropylbenzenesulfonamidePhosphorothioic acid, O,O-dimethyl O-(4-(((1-methylethyl)amino)sulfonyl)phenyl) ester
Show more names
AC 35AC-38106
RefChem:3395954-dimethoxyphosphinothioyloxy-N-propan-2-ylbenzenesulfonamidePhosphorothioic acid=O,O-dimethyl=O-[4-[[(1-methylethyl)amino]sulfonyl]phenyl] esterorb1697305DTXSID80937966AKOS040751691T31642O,O-Dimethyl O-{4-[(propan-2-yl)sulfamoyl]phenyl} phosphorothioate
Database identifiers
- CAS
1713-54-8- PubChem CID
- 74384
- DTXSID
DTXSID80937966- Nikkaji
- J34.688H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Boiling point
- 412.2 · 412.2±55.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- 11.75 · 11.75±0.50(Predicted)
Chemistry & industry
Suppliers2 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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