2,4,6-Trimethylthiophenol

C₉H₁₂SCAS 1541-10-2152.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂S
Molar mass: 152.25 g/mol
Exact mass: 152.0660 Da
logP: 2.90Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

1541-10-2

SMILES

CC1=CC(=C(C(=C1)C)S)C

InChIKey

PKANQZUPJCMBAK-UHFFFAOYSA-N

InChI

InChI=1S/C9H12S/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3

Weigh it out

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

Work with 2,4,6-Trimethylthiophenol

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

2,6-Dimethylbenzenethiol118-72-950 % similar Iodomesitylene4028-63-150 % similar 2,4-Dimethylbenzenethiol13616-82-548 % similar 2,4,6-Trimethylbenzenemethanethiol21411-42-748 % similar Mesitol527-60-648 % similar 2,4,6-Trimethylaniline88-05-148 % similar 3,5-Dimethylbenzenethiol38360-81-545 % similar Mesitylene108-67-844 % similar

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

Same formula

2-Phenylpropane-2-thiol16325-88-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook