Basic information
- CAS
13088-83-0- Standard SMILES
CCCSP(C)(=O)OCC- InChIKey
DJHXPMPGUPBOKX-UHFFFAOYSA-N- Molecular formula
- C6H15O2PS
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.05303789
Names & identifiers
- Preferred name
- O-Ethyl S-propyl P-methylphosphonothioate
- IUPAC
- 1-[ethoxy(methyl)phosphoryl]sulfanylpropane
- English name
- Methylphosphonothioic acid O-ethyl S-propyl ester
- Molecular formula
- C6H15O2PS
- Molecular weight
- 182.22
Names & synonyms
13088-83-0RefChem:1093676O-Ethyl S-propyl P-methylphosphonothioateO-Ethyl S-propyl methylphosphonothioateMethylphosphonothioic acid O-ethyl S-propyl esterBRN 2039674Phosphonothioic acid, methyl-, O-ethyl S-propyl ester1-[ethoxy(methyl)phosphoryl]sulfanylpropane(R)-O-Ethyl S-propyl methylphosphonothioateO-Ethyl S-propyl methylthiophosphonate(+)-Ethyl S-propyl methylphosphonothioate(+-)-Ethyl S-propyl methylphosphonothioate
Show more names
Phosphonothioic acid, P-methyl-, O-ethyl S-propyl ester
65167-51-3(-)-Ethyl S-propyl methylphosphonothioatePhosphonothioic acid, methyl-, O-ethyl S-propyl ester, (+)-Phosphonothioic acid, methyl-, O-ethyl S-propyl ester, (+-)-(S)-O-Ethyl S-propyl methylphosphonothioateSCHEMBL12620595DTXSID20926955DJHXPMPGUPBOKX-UHFFFAOYSA-N
Database identifiers
- CAS
13088-83-0、65142-99-6、65167-51-3、65167-52-4- PubChem CID
- 83128
- DTXSID
DTXSID20926955- Nikkaji
- J119.577H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 106 °C · 106 °C(Press: 10 Torr)
- Density
- 1.0712 g/cm3 · 1.0712 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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