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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

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

Weigh it out

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

2-(Phenylthio)aniline1134-94-750 % similar Diphenyl sulfide139-66-250 % similar 1,3,5-Trimethyl-2-(phenylsulfanyl)benzene33667-80-050 % similar O-Xylene95-47-645 % similar 2-(Phenylthio)aniline hydrochloride6764-13-245 % similar Diphenyl disulfide882-33-743 % similar 2-Nitrophenyl phenyl sulfide4171-83-941 % similar Solvent yellow 16313676-91-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methyldiphenyl sulfide3699-01-2 Benzyl phenyl sulfide831-91-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook