2,2-Dichlorocyclopropyl phenyl sulfide

C₉H₈Cl₂SCAS 63289-85-0219.12 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₉H₈Cl₂S
Molar mass: 219.12 g/mol
Exact mass: 217.9724 Da
logP: 3.72Crippen 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

63289-85-0

SMILES

C1C(C1(Cl)Cl)SC2=CC=CC=C2

InChIKey

DIHSMJVOQUSOTO-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2S/c10-9(11)6-8(9)12-7-4-2-1-3-5-7/h1-5,8H,6H2

Weigh it out

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Work with 2,2-Dichlorocyclopropyl phenyl 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

2,2-Dichlorocyclopropylbenzene2415-80-745 % similar Cyclopropyl phenyl sulfide14633-54-645 % similar Chloromethyl phenyl sulphide7205-91-635 % similar 1,1′-[Methylenebis(thio)]bis[benzene]3561-67-934 % similar 1,1′-[1,2-Ethanediylbis(thio)]bis[benzene]622-20-834 % similar Benzenesulfenyl chloride931-59-934 % similar Diphenyl sulfide139-66-233 % similar 2-Chloroethyl phenyl sulfide5535-49-933 % similar

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

Elsewhere

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