3-Methoxythioanisole

C8H10OSCAS 2388-74-1154.23 g/mol

Open in Covalent MOL file
OS
EtherSulfide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3,3'-Dimethoxybiphenyl6161-50-854 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Methoxy-4-(methylthio)benzene1879-16-9 2-Methoxythioanisole2388-73-0 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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