Basic information
- CAS
20195-12-4- Standard SMILES
CCCCCC(C)OP(=S)(OCC)OCC- InChIKey
NETWHEUXGRBSSI-UHFFFAOYSA-N- Molecular formula
- C11H25O3PS
- Average molar mass
- 268.36 g/mol
- Monoisotopic mass
- 268.12620283
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-diethyl S-heptyl ester
- IUPAC
- diethoxy-heptan-2-yloxy-sulfanylidene-λ5-phosphane
Names & synonyms
Phosphorothioic acid, O,O-diethyl S-heptyl ester20195-12-4RefChem:1095483O,O-Diethyl S-heptyl phosphorothioateBRN 2255960o,o-diethyl o-heptan-2-yl phosphorothioateDTXSID70942266O,O-Diethyl O-(heptan-2-yl) phosphorothioate
Database identifiers
- CAS
20195-12-4- PubChem CID
- 209697
- DTXSID
DTXSID70942266
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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