O-Methyl cyclohexanecarbothioate
Basic information
- CAS
91923-30-7- Standard SMILES
COC(=S)C1CCCCC1- InChIKey
DAUZPCSBRGIHFG-UHFFFAOYSA-N- Molecular formula
- C8H14OS
- Average molar mass
- 158.26 g/mol
- Monoisotopic mass
- 158.07653624
Names & identifiers
- Preferred name
- O-Methyl cyclohexanecarbothioate
- IUPAC
- O-methyl cyclohexanecarbothioate
Names & synonyms
O-methyl cyclohexanecarbothioateDTXSID1054557891923-30-7RefChem:366483DTXCID40496362SCHEMBL12574801AKOS015906365cyclohexanecarbothioic acid O-methyl ester
Database identifiers
- CAS
91923-30-7- PubChem CID
- 13636584
- DTXSID
DTXSID10545578- Nikkaji
- J1.406.223H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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