Phosphorothioic acid, O,O-dimethyl S-(O',O'-diisopropylphosphoramido)ethyl ester
Basic information
- CAS
23497-07-6- Standard SMILES
COP(=O)(OC)SCCNP(=O)(OC(C)C)OC(C)C- InChIKey
GJCLJHPKEFJKEB-UHFFFAOYSA-N- Molecular formula
- C10H25NO6P2S
- Average molar mass
- 349.32 g/mol
- Monoisotopic mass
- 349.08778269
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl S-(O',O'-diisopropylphosphoramido)ethyl ester
- IUPAC
- 2-dimethoxyphosphorylsulfanyl-N-di(propan-2-yloxy)phosphorylethanamine
- English name
- Phosphorothioic acid S-[2-(diisopropoxyphosphinylamino)ethyl]O,O-dimethyl ester
- Molecular formula
- C10H25NO6P2S
- Molecular weight
- 349.32
Names & synonyms
BRN 188817423497-07-6Phosphorothioic acid, O,O-dimethyl S-(O',O'-diisopropylphosphoramido)ethyl esterPhosphoramidic acid, N-(O',O'-dimethylphosphorothio)ethyl-, O,O-diisopropyl esterRefChem:371380DTXSID20946178Phosphorothioic acid S-[2-(diisopropoxyphosphinylamino)ethyl]O,O-dimethyl esterS-[2-({Bis[(propan-2-yl)oxy]phosphoryl}amino)ethyl] O,O-dimethyl phosphorothioatePhosphoramidic acid, (2-mercaptoethyl)-, diisopropyl ester, S-ester with O,O-dimethyl phosphorothioate (8CI)
Database identifiers
- CAS
23497-07-6- PubChem CID
- 90124
- DTXSID
DTXSID20946178- Nikkaji
- J50.470J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 386.8 · 386.8±52.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- -0.21 · -0.21±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…