O,S-Dipropyl ethylphosphonothioate
Basic information
- CAS
90220-15-8- Standard SMILES
CCCOP(=O)(CC)SCCC- InChIKey
PMQIYZHLHSBCEO-UHFFFAOYSA-N- Molecular formula
- C8H19O2PS
- Average molar mass
- 210.28 g/mol
- Monoisotopic mass
- 210.08433802
Names & identifiers
- Preferred name
- O,S-Dipropyl ethylphosphonothioate
- IUPAC
- 1-[ethyl(propylsulfanyl)phosphoryl]oxypropane
Names & synonyms
90220-15-8O,S-Dipropyl ethylphosphonothioateDTXSID601009257RefChem:1093523DTXCID001436080Ethylphosphonothioic acid O,S-dipropyl esterPhosphonothioic acid, ethyl-, O,S-dipropyl esterPMQIYZHLHSBCEO-UHFFFAOYSA-N
Database identifiers
- CAS
90220-15-8- PubChem CID
- 198660
- DTXSID
DTXSID601009257
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…