chempirical

1-Methoxy-4-(methylthio)benzene

C8H10OSCAS 1879-16-9154.23 g/mol

Open in Covalent MOL file
OS
EtherSulfide

Properties

Molecular formula
C8H10OS
Molar mass
154.23 g/mol
Exact mass
154.0452 Da
logP
2.42Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
1879-16-9
SMILES
COC1=CC=C(C=C1)SC
InChIKey
DQNSKXYRRRCKGH-UHFFFAOYSA-N
InChI
InChI=1S/C8H10OS/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3

Weigh it out

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

Work with 1-Methoxy-4-(methylthio)benzene

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

1,4-Dimethoxybenzene150-78-760 % similar Methyl P-tolyl sulfide623-13-248 % similar 4-Bromothioanisole104-95-046 % similar 1-Chloro-4-(methylthio)benzene123-09-146 % similar 4-Methoxyphenol150-76-546 % similar 4-Fluorophenyl methyl sulfide371-15-346 % similar 4-Fluoroanisole459-60-946 % similar 4-Chloroanisole623-12-146 % similar

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

Same formula

3-Methoxythioanisole2388-74-1 3-Acetyl-2,5-dimethylthiophene2530-10-1 3-Methyl-4-(methylthio)phenol3120-74-9 4-(Methylthio)benzenemethanol3446-90-0 1-(2-Thienyl)-1-butanone5333-83-5 4-Methoxybenzylthiol6258-60-2 2-(Phenylthio)ethanol699-12-7

Elsewhere

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