1,3,5-Trimethyl-2-(phenylsulfanyl)benzene

C₁₅H₁₆SCAS 33667-80-0228.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₆S
Molar mass: 228.35 g/mol
Exact mass: 228.0973 Da
logP: 4.76Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

33667-80-0

SMILES

CC1=CC(=C(C(=C1)C)SC2=CC=CC=C2)C

InChIKey

IOVNMGMCDITBSD-UHFFFAOYSA-N

InChI

InChI=1S/C15H16S/c1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14/h4-10H,1-3H3

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Names and synonyms

1 names

2,4,6-Trimethyl diphenyl sulfide

Work with 1,3,5-Trimethyl-2-(phenylsulfanyl)benzene

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

4-Methyldiphenyl sulfide3699-01-254 % similar 2-Methyl diphenyl sulfide13963-35-450 % similar 4,6,8-Trimethylazulene941-81-145 % similar Diphenyl sulfide139-66-244 % similar 1,3-Dimethylnaphthalene575-41-744 % similar 2,4,6-Trimethylbenzophenone954-16-542 % similar Mesityl bromide576-83-041 % similar Toluene108-88-340 % similar

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

Elsewhere

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