chempirical

4-Methoxybenzylthiol

C8H10OSCAS 6258-60-2154.23 g/mol

Open in Covalent MOL file
OSH
EtherThiol

Properties

Molecular formula
C8H10OS
Molar mass
154.23 g/mol
Exact mass
154.0452 Da
Boiling point
89–94 °C (at 2.5 Torr)
logP
2.13Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
6258-60-2
SMILES
COc1ccc(CS)cc1
InChIKey
PTDVPWWJRCOIIO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Benzenemethanethiol, 4-methoxy-
  • α-Toluenethiol, p-methoxy-
  • 4-Methoxybenzenemethanethiol
  • (p-Methoxyphenyl)methanethiol
  • p-Methoxybenzyl mercaptan
  • p-Methoxybenzenemethanethiol
  • 4-Methoxybenzyl mercaptan
  • 4-Methoxy-α-toluenethiol
  • (4-Methoxyphenyl)methanethiol
  • (4-Methoxyphenyl)methylthiol
  • p-Methoxy-α-toluenethiol
  • p-Methoxybenzylthiol
  • [4-(Methyloxy)phenyl]methanethiol
  • 4-Methoxytoluenethiol
  • 4-Methoxy-alpha-toluenethiol

Work with 4-Methoxybenzylthiol

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-Ethyl-4-methoxybenzene1515-95-358 % similar 1,4-Benzenedimethanethiol105-09-957 % similar 1,4-Dimethoxybenzene150-78-757 % similar 4-Propylanisole104-45-056 % similar Anisyl alcohol105-13-556 % similar Bis(4-methoxybenzyl)amine17061-62-056 % similar 4-Methoxybenzylamine2393-23-956 % similar 4-Methoxybenzyl bromide2746-25-056 % 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 2-(Phenylthio)ethanol699-12-7

Elsewhere

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