Phosphorothioic acid, S-(cyclohexylethynyl) O,O-diethyl ester
Basic information
- CAS
91219-55-5- Standard SMILES
CCOP(=O)(OCC)SC#CC1CCCCC1- InChIKey
QFERRUVCHFYDCX-UHFFFAOYSA-N- Molecular formula
- C12H21O3PS
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.0949027
Names & identifiers
- Preferred name
- Phosphorothioic acid, S-(cyclohexylethynyl) O,O-diethyl ester
- IUPAC
- 2-diethoxyphosphorylsulfanylethynylcyclohexane
Names & synonyms
91219-55-5Phosphorothioic acid, S-(cyclohexylethynyl) O,O-diethyl esterS-(Cyclohexylethynyl) O,O-diethyl phosphorothioateDTXSID30238450S-Cyclohexylethynyl O,O-diethyl phosphorothioate
Database identifiers
- CAS
91219-55-5- PubChem CID
- 185096
- DTXSID
DTXSID30238450
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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