chempirical

Cyclohexanethiol

C6H12SCAS 1569-69-3116.22 g/mol

Open in Covalent MOL file
HS
Thiol

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
logP
2.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1569-69-3
SMILES
SC1CCCCC1
InChIKey
CMKBCTPCXZNQKX-UHFFFAOYSA-N
InChI
InChI=1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

Weigh 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. All similar compounds

Same formula

3-(Propylthio)-1-propene27817-67-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia