3-Methoxythioanisole

C₈H₁₀OSCAS 2388-74-1154.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀OS
Molar mass: 154.23 g/mol
Exact mass: 154.0452 Da
Boiling point: 116 °C (at 15 Torr)
logP: 2.42Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

2388-74-1

SMILES

COc1cccc(SC)c1

InChIKey

IWVQVOXDIOKVBE-UHFFFAOYSA-N

InChI

InChI=1S/C8H10OS/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all

Benzene, 1-methoxy-3-(methylthio)-
Anisole, m-(methylthio)-
1-Methoxy-3-(methylthio)benzene
m-Anisyl methyl sulfide
3-(Methylthio)anisole
m-Methoxyphenyl methyl sulfide
3-(Methylthio)-1-methoxybenzene
Methyl m-methoxyphenyl sulfide
3-Methoxyphenyl methyl sulfide
Methyl 3-methoxyphenyl sulfide
NSC 133794
1-Methoxy-3-methylsulfanylbenzene
1-Methoxy-3-(methylsulfanyl)benzene
1-Methoxy-3-methylsulfanyl-benzene

Work with 3-Methoxythioanisole

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

1,3-Dimethoxybenzene151-10-060 % similar 3-Methylanisole100-84-550 % similar 3-Methoxybenzenethiol15570-12-450 % similar 3-Chloroanisole2845-89-850 % similar 1-Fluoro-3-methoxybenzene456-49-550 % similar 1-Chloro-3-(methylthio)benzene4867-37-250 % similar 1-Fluoro-3-(methylthio)benzene658-28-650 % similar 3-Iodothioanisole130416-73-848 % similar

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

Same formula

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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