Basic information
- CAS
35841-67-9- Standard SMILES
CCOP(=O)(OCC)SCC(=O)N(C(C)C)C(C)C- InChIKey
GJUFABSMHZXHCN-UHFFFAOYSA-N- Molecular formula
- C12H26NO4PS
- Average molar mass
- 311.38 g/mol
- Monoisotopic mass
- 311.13201648
Names & identifiers
- Preferred name
- Phosphorothioic acid, S-(2-(bis(1-methylethyl)amino)-2-oxoethyl) O,O-diethyl ester
- IUPAC
- 2-diethoxyphosphorylsulfanyl-N,N-di(propan-2-yl)acetamide
Names & synonyms
BRN 228214235841-67-9Phosphorothioic acid, S-(2-(bis(1-methylethyl)amino)-2-oxoethyl) O,O-diethyl esterO,O-Diethyl S-(N,N-di-isopropylcarbamoylmethyl) phosphorothiolateRefChem:371468DTXSID00957247S-{2-[Di(propan-2-yl)amino]-2-oxoethyl} O,O-diethyl phosphorothioate
Database identifiers
- CAS
35841-67-9- PubChem CID
- 215552
- DTXSID
DTXSID00957247
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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