Basic information
- CAS
21988-59-0- Standard SMILES
CCCOP(=O)(OCCC)SCCNP(=O)(Oc1ccccc1)Oc1ccccc1- InChIKey
QVSVMRXWPUQWLC-UHFFFAOYSA-N- Molecular formula
- C20H29NO6P2S
- Average molar mass
- 473.5 g/mol
- Monoisotopic mass
- 473.11908281
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl ester
- IUPAC
- N-diphenoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
- English name
- Phosphorothioic acid S-[2-(diphenoxyphosphinylamino)ethyl]O,O-dipropyl ester
- Molecular weight
- 0
Names & synonyms
21988-59-0Phosphorothioic acid, O,O-dipropyl S-(O',O'-diphenylphosphoramido)ethyl esterPhosphoramidic acid, N-(O',O'-dipropylphosphorothio)ethyl-, O,O-diphenyl esterRefChem:371388s-{2-[(diphenoxyphosphoryl)amino]ethyl} o,o-dipropyl phosphorothioateDTXSID70944583Phosphorothioic acid S-[2-(diphenoxyphosphinylamino)ethyl]O,O-dipropyl ester
Database identifiers
- CAS
21988-59-0- PubChem CID
- 89134
- DTXSID
DTXSID70944583- Nikkaji
- J50.478E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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