2-Methylcyclohexanethiol
Basic information
- CAS
99419-74-6- Standard SMILES
CC1CCCCC1S- InChIKey
ICOZZYFCTGILJV-UHFFFAOYSA-N- Molecular formula
- C7H14S
- Average molar mass
- 130.25 g/mol
- Monoisotopic mass
- 130.08162162
Names & identifiers
- Preferred name
- 2-Methylcyclohexanethiol
- IUPAC
- 2-methylcyclohexane-1-thiol
Names & synonyms
2-Methylcyclohexanethiol99419-74-6DTXSID901313370RefChem:1063805DTXCID8017431882-methylcyclohexane-1-thiolCyclohexanethiol, 2-methyl-, cis-SCHEMBL7887433SCHEMBL7887435cis-2-Methylcyclohexane-1-thiolICOZZYFCTGILJV-UHFFFAOYSA-NEN300-1288944
Database identifiers
- CAS
99419-74-6- PubChem CID
- 519947
- DTXSID
DTXSID901313370- Nikkaji
- J1.408.848B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.8
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Related reactions
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Compound notes
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