3,5-Dichlorothioanisole

C₇H₆Cl₂SCAS 68121-46-0193.08 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₇H₆Cl₂S
Molar mass: 193.08 g/mol
Exact mass: 191.9567 Da
logP: 3.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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

68121-46-0

SMILES

CSC1=CC(=CC(=C1)Cl)Cl

InChIKey

PSSCMQMQOXVMFG-UHFFFAOYSA-N

InChI

InChI=1S/C7H6Cl2S/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

3,5-Dichlorophenyl methyl sulfide

Work with 3,5-Dichlorothioanisole

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

1-Chloro-3-(methylthio)benzene4867-37-263 % similar Bis(3,5-dichlorophenyl) disulfide137897-99-557 % similar 1-Chloro-4-(methylthio)benzene123-09-157 % similar 1,3,5-Trichlorobenzene108-70-350 % similar 3,5-Dichlorophenyl thioethanol101079-86-141 % similar 1-Fluoro-3-(methylthio)benzene658-28-639 % similar 3,3'-Dichloro diphenyl disulfide19742-92-838 % similar 1,3-Dichloro-5-methoxybenzene33719-74-338 % similar

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

Same formula

2,4-Dichlorobenzenemethanethiol59293-67-3

Elsewhere

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