Basic information
- CAS
35842-08-1- Standard SMILES
CCCNC(=O)CSP(=O)(OCC)OCC- InChIKey
DCRIGPSCHMAKHE-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-oxo-2-(propylamino)ethyl) ester
- IUPAC
- 2-diethoxyphosphorylsulfanyl-N-propylacetamide
Names & synonyms
BRN 227127335842-08-1Phosphorothioic acid, O,O-diethyl S-(2-oxo-2-(propylamino)ethyl) esterO,O-Diethyl S-(N-n-propylcarbamoylmethyl) phosphorothiolateRefChem:371323DTXSID10957253[(Diethoxyphosphoryl)sulfanyl]-N-propylethanimidic acid2-[(Diethoxyphosphoryl)sulfanyl]-N-propylethanimidic acid
Database identifiers
- CAS
35842-08-1- PubChem CID
- 215560
- DTXSID
DTXSID10957253
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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