2-Methyl diphenyl sulfide

C₁₃H₁₂SCAS 13963-35-4200.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₂S
Molar mass: 200.30 g/mol
Exact mass: 200.0660 Da
logP: 4.15Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

13963-35-4

SMILES

CC1=CC=CC=C1SC2=CC=CC=C2

InChIKey

KXCVWFIROSGRRF-UHFFFAOYSA-N

InChI

InChI=1S/C13H12S/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10H,1H3

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

Names and synonyms

1 names

Benzene, 1-methyl-2-(phenylthio)-

Work with 2-Methyl diphenyl sulfide

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

O-Xylene95-47-645 % similar Benzenamine, 2-(phenylthio)-, hydrochloride (1:1)6764-13-245 % similar Diphenyl disulfide882-33-743 % similar 2-Nitrophenyl phenyl sulfide4171-83-941 % similar Solvent yellow 16313676-91-040 % similar 2-Methylbiphenyl643-58-339 % similar Thianthrene92-85-339 % similar 2-Iodotoluene615-37-237 % similar

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

Same formula

Benzyl phenyl sulfide831-91-4

Elsewhere

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