Cyclohexanethiol
Properties
- Molecular formula
- C6H12S
- Molar mass
- 116.22 g/mol
- Exact mass
- 116.0660 Da
- Density
- 0.9782 g/mL (at 20 °C)
- Melting point
- −118 °C
- Boiling point
- 158.9 °C
- Flash point
- 43 °C (closed cup)
- Water solubility
- insoluble
- logP
- 2.25Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation14.6% of notifiers
- H332 Harmful if inhaled93.8% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
- H411 Toxic to aquatic life with long lasting effects16.7% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1569-69-3SMILES
SC1CCCCC1InChIKey
CMKBCTPCXZNQKX-UHFFFAOYSA-NInChI
InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Cyclohexyl mercaptan
- Cyclohexylthiol
- Mercaptocyclohexane
- NSC 59723
Work with Cyclohexanethiol
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Cyclopentanethiol1679-07-892 % similar
Methylcyclohexane108-87-241 % similar
Bicyclohexyl92-51-340 % similar
Dihydrolipoic acid7516-48-538 % similar
Isopropylcyclohexane696-29-737 % similar
2,7-Dimethyloctane1072-16-835 % similar
cis-1,2-Dimethylcyclohexane2207-01-435 % similar
1,2-Dimethylcyclohexane583-57-335 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.