chempirical

3,5-Dichlorophenyl thioethanol

C8H8Cl2OSCAS 101079-86-1223.11 g/mol

Open in Covalent MOL file
ClClSOH
AlcoholAryl halideSulfide

Properties

Molecular formula
C8H8Cl2OS
Molar mass
223.11 g/mol
Exact mass
221.9673 Da
logP
3.08Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
101079-86-1
SMILES
C1=C(C=C(C=C1Cl)Cl)SCCO
InChIKey
UVVZHCXFLPWEMD-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Cl2OS/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5,11H,1-2H2

Weigh it out

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

Work with 3,5-Dichlorophenyl thioethanol

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)ethanol699-12-748 % similar 3,5-Dichlorobenzyl alcohol60211-57-641 % similar 1,3,5-Trichlorobenzene108-70-339 % similar 2-[(4-Nitrophenyl)thio]ethanol13287-76-837 % similar Thiodiglycol111-48-836 % similar 3,5-Dichlorophenol591-35-536 % similar 4-Chlorobenzeneethanol1875-88-335 % similar 2-(3-Chlorophenyl)ethanol5182-44-535 % similar

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

Elsewhere

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