2-Phenylpropane-2-thiol

C₉H₁₂SCAS 16325-88-5152.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₂S
Molar mass: 152.25 g/mol
Exact mass: 152.0660 Da
logP: 2.85Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

16325-88-5

SMILES

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

InChIKey

WBDRVMIJNFZLMN-UHFFFAOYSA-N

InChI

InChI=1S/C9H12S/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

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Names and synonyms

1 names

Alpha,alpha-dimethylbenzyl mercaptan

Work with 2-Phenylpropane-2-thiol

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

2,3-Dimethyl-2,3-diphenylbutane1889-67-450 % similar Triphenylmethanethiol3695-77-050 % similar Dimethyldiphenylmethane778-22-350 % similar tert-Butylbenzene98-06-650 % similar Cumene hydroperoxide80-15-944 % similar Cumylamine585-32-044 % similar 1,1-Diphenylethanol599-67-744 % similar 2-Phenyl-2-propanol617-94-744 % similar

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

Same formula

2,4,6-Trimethylthiophenol1541-10-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook