Grapefruit mercaptan

C₁₀H₁₈SCAS 71159-90-5170.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₈S
Molar mass: 170.31 g/mol
Exact mass: 170.1129 Da
logP: 3.44Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

71159-90-5

SMILES

CC1=CCC(C(C)(C)S)CC1

InChIKey

ZQPCOAKGRYBBMR-UHFFFAOYSA-N

InChI

InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

3-Cyclohexene-1-methanethiol, α,α,4-trimethyl-
α,α,4-Trimethyl-3-cyclohexene-1-methanethiol
1-p-Menthene-8-thiol
2-(4-Methylcyclohex-3-enyl)propane-2-thiol
Thioterpineol
2-(4-Methylcyclohex-3-en-1-yl)propane-2-thiol

Work with Grapefruit mercaptan

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

Terpineol98-55-561 % similar (±)-α-Terpinyl acetate80-26-251 % similar Bisabolol23089-26-149 % similar Bisabolol515-69-549 % similar Limonene138-86-342 % similar (+)-Limonene5989-27-542 % similar (S)-Limonene5989-54-842 % similar Limonene7705-14-842 % similar

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

Same formula

Thiogeraniol39067-80-6

Elsewhere

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