Chlorbenside

C₁₃H₁₀Cl₂SCAS 103-17-3269.18 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₁₃H₁₀Cl₂S
Molar mass: 269.18 g/mol
Exact mass: 267.9880 Da
Density: 1.421 g/mL (at 25 °C)
Melting point: 75–76 °C
Boiling point: 83–84 °C
logP: 5.29Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

103-17-3

SMILES

Clc1ccc(CSc2ccc(Cl)cc2)cc1

InChIKey

ZHLKXBJTJHRTTE-UHFFFAOYSA-N

InChI

InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2

Weigh it out

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

Names and synonyms

15 names · show all

Benzene, 1-chloro-4-[[(4-chlorophenyl)methyl]thio]-
Sulfide, p-chlorobenzyl p-chlorophenyl
1-Chloro-4-[[(4-chlorophenyl)methyl]thio]benzene
p-Chlorobenzyl p-chlorophenyl sulfide
p-Chlorobenzyl p-chlorophenyl sulphide
4-Chlorobenzyl 4-chlorophenyl sulphide
Chlorparacide
Chlorsulphacide
Mitox
Chlorbensid
Chloracide
CP 20
4-Chlorobenzyl 4-chlorophenyl sulfide
NSC 33078
1-Chloro-4-[(4-chlorophenyl)sulfanylmethyl]benzene

Work with Chlorbenside

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chlorophenyl disulfide1142-19-450 % similar Benzyl phenyl sulfide831-91-450 % similar 4-Chlorobenzyl chloride104-83-646 % similar 1-[(4-Chlorophenyl)thio]-2-propanone25784-83-245 % similar 2-[(4-Chlorophenyl)thio]acetic acid3405-88-745 % similar 4-Chlorobenzylamine104-86-944 % similar 1-Chloro-4-(methylthio)benzene123-09-144 % similar 4-Chlorobenzyl bromide622-95-744 % similar

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

Elsewhere

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