O,O-Diethyl S-pentyl phosphorothioate
Basic information
- CAS
995-51-7- Standard SMILES
CCCCCSP(=O)(OCC)OCC- InChIKey
SJPVBQHKOVHWDR-UHFFFAOYSA-N- Molecular formula
- C9H21O3PS
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.0949027
Names & identifiers
- Preferred name
- O,O-Diethyl S-pentyl phosphorothioate
- IUPAC
- 1-diethoxyphosphorylsulfanylpentane
- English name
- 1-[(amylthio)-ethoxy-phosphoryl]oxyethane
- Molecular formula
- C9H21O5PS
- Molecular weight
- 272.298801
Names & synonyms
O,O-Diethyl S-pentyl phosphorothioateDTXSID10912685995-51-7RefChem:1093506DTXCID201341702Ethyl pentyl phosphorothioateBRN 1707956Phosphorothioic acid, O,O-diethyl S-pentyl esterSCHEMBL121381844-01-00-01655 (Beilstein Handbook Reference)1-diethoxyphosphorylsulfanylpentane1-[(amylthio)-ethoxy-phosphoryl]oxyethane
Show more names
thiophosphoric acid O,O'-diethyl ester S-pentyl ester
Database identifiers
- CAS
995-51-7- PubChem CID
- 120945
- DTXSID
DTXSID10912685
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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