Phosphorothioic acid, O-methyl O-phenyl S-(O',O'-diisopropyl-N-methylphosphoramido)ethyl ester
Basic information
- CAS
23497-19-0- Standard SMILES
COP(=O)(Oc1ccccc1)SCCN(C)P(=O)(OC(C)C)OC(C)C- InChIKey
BMRMDIRJYLYCKX-UHFFFAOYSA-N- Molecular formula
- C16H29NO6P2S
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.11908281
Names & identifiers
- Preferred name
- Phosphorothioic acid, O-methyl O-phenyl S-(O',O'-diisopropyl-N-methylphosphoramido)ethyl ester
- IUPAC
- N-di(propan-2-yloxy)phosphoryl-2-[methoxy(phenoxy)phosphoryl]sulfanyl-N-methylethanamine
- English name
- Phosphorothioic acid S-[2-[(diisopropoxyphosphinyl)(methyl)amino]ethyl]O-methyl O-phenyl ester
- Molecular formula
- C16H29NO6P2S
- Molecular weight
- 425.42
Names & synonyms
23497-19-0Phosphorothioic acid, O-methyl O-phenyl S-(O',O'-diisopropyl-N-methylphosphoramido)ethyl esterRefChem:371438DTXSID80946179Phosphorothioic acid S-[2-[(diisopropoxyphosphinyl)(methyl)amino]ethyl]O-methyl O-phenyl esterS-{2-[{Bis[(propan-2-yl)oxy]phosphoryl}(methyl)amino]ethyl} O-methyl O-phenyl phosphorothioatePhosphoramidic acid, (2-mercaptoethyl)methyl-, diisopropyl ester, S-ester with O-methyl O-phenyl phosphorothioate (8CI)
Database identifiers
- CAS
23497-19-0- PubChem CID
- 90125
- DTXSID
DTXSID80946179- Nikkaji
- J50.488B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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