Basic information
- CAS
35841-62-4- Standard SMILES
CCOP(=O)(OCC)SCC(=O)NC(C)C- InChIKey
APKOEEKMDHDOLF-UHFFFAOYSA-N- Molecular formula
- C9H20NO4PS
- Average molar mass
- 269.3 g/mol
- Monoisotopic mass
- 269.08506629
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester
- IUPAC
- 2-diethoxyphosphorylsulfanyl-N-propan-2-ylacetamide
Names & synonyms
BRN 2271272Phosphorothioic acid, O,O-diethyl S-(2-((1-methylethyl)amino)-2-oxoethyl) ester35841-62-4O,O-Diethyl S-(N-isopropylcarbamoylmethyl) phosphorothiolateRefChem:371315DTXSID80957245[(Diethoxyphosphoryl)sulfanyl]-N-(propan-2-yl)ethanimidic acid2-[(Diethoxyphosphoryl)sulfanyl]-N-(propan-2-yl)ethanimidic acid
Database identifiers
- CAS
35841-62-4- PubChem CID
- 215548
- DTXSID
DTXSID80957245
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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