p-Mentha-8-thiol-3-one

C₁₀H₁₈OSCAS 38462-22-5186.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈OS
Molar mass: 186.31 g/mol
Exact mass: 186.1078 Da
Density: 0.995–1.01 g/mL
Boiling point: 120 °C (at 10 Torr)
logP: 2.70Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reaction94.5% of notifiers

Aggregated from 1,550 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

38462-22-5

SMILES

CC1CCC(C(C)(C)S)C(=O)C1

InChIKey

RVOKNSFEAOYULQ-UHFFFAOYSA-N

InChI

InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3

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Names and synonyms

7 names

Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-
2-(1-Mercapto-1-methylethyl)-5-methylcyclohexanone
Mangone
5-Methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one
2-(2-Mercaptopropan-2-yl)-5-methylcyclohexan-1-one
2-(2-Mercaptopropan-2-yl)-5-methylcyclohexanone
8-Mercaptomenthone

Work with p-Mentha-8-thiol-3-one

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

p-Menthan-3-one10458-14-746 % similar Menthone14073-97-346 % similar 3-Methylcyclopentanone1757-42-234 % similar (RS)-3-Methylcyclohexanone591-24-232 % similar Beta-Methyl-delta-valerolactone1121-84-232 % similar 2-tert-Butylcyclohexanone1728-46-731 % similar (+-)-3-Methyladipic acid3058-01-331 % similar (±)-Muscone541-91-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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