O,S-Dimethyl propylphosphonothioate
Basic information
- CAS
90220-19-2- Standard SMILES
CCCP(=O)(OC)SC- InChIKey
KHDOCIXBNDMHPL-UHFFFAOYSA-N- Molecular formula
- C5H13O2PS
- Average molar mass
- 168.2 g/mol
- Monoisotopic mass
- 168.03738782
Names & identifiers
- Preferred name
- O,S-Dimethyl propylphosphonothioate
- IUPAC
- 1-[methoxy(methylsulfanyl)phosphoryl]propane
Names & synonyms
90220-19-2DTXSID001009261o,S-Dimethyl propylphosphonothioateRefChem:1093522DTXCID801436084Propylphosphonothioic acid O,S-dimethyl esterPhosphonothioic acid, propyl-, O,S-dimethyl esterSCHEMBL6303600o,S-Dimethyl propylphosphonothioate #
Database identifiers
- CAS
90220-19-2- PubChem CID
- 198664
- DTXSID
DTXSID001009261- Nikkaji
- J1.861.387E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
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Related reactions
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Compound notes
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