chempirical

2-Methoxybenzenethiol

C7H8OSCAS 7217-59-6140.20 g/mol

Open in Covalent MOL file
OHS
EtherThiol

Properties

Molecular formula
C7H8OS
Molar mass
140.20 g/mol
Exact mass
140.0296 Da
Melting point
306.7–313.7 °C (decomposes)
Boiling point
99 °C (at 8 Torr)
logP
1.98Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
7217-59-6
SMILES
COc1ccccc1S
InChIKey
DSCJETUEDFKYGN-UHFFFAOYSA-N
InChI
InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenethiol, 2-methoxy-
  • Benzenethiol, o-methoxy-
  • o-Methoxybenzenethiol
  • 2-Methoxythiophenol
  • 2-Mercaptoanisole
  • o-Methoxythiophenol
  • 2-(Methoxy)benzothiol
  • 2-Methoxyphenylthiol
  • 2-Methoxybenzene-1-thiol

Work with 2-Methoxybenzenethiol

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

1,2-Dimethoxybenzene91-16-762 % similar Tris(2-methoxyphenyl)phosphine4731-65-152 % similar 2-Bromoanisole578-57-450 % similar 2-Methylanisole578-58-550 % similar O-Anisidine90-04-050 % similar 2-Fluoroanisole321-28-848 % similar 2-Iodoanisole529-28-248 % similar 2-Chloroanisole766-51-848 % similar

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

Same formula

2-(Methylthio)phenol1073-29-6 4-(Methylthio)phenol1073-72-9 Methyl phenyl sulfoxide1193-82-4 2-Acetyl-3-methylthiophene13679-72-6 2-Acetyl-4-methylthiophene13679-73-7 2-Acetyl-5-methylthiophene13679-74-8 1-(2-Thienyl)-1-propanone13679-75-9 3-Methoxybenzenethiol15570-12-4

Elsewhere

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