chempirical

3-Methoxybenzenethiol

C7H8OSCAS 15570-12-4140.20 g/mol

Open in Covalent MOL file
OSH
EtherThiol

Properties

Molecular formula
C7H8OS
Molar mass
140.20 g/mol
Exact mass
140.0296 Da
Melting point
264.4–268.3 °C (decomposes)
Boiling point
224.5 °C
logP
1.98Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
15570-12-4
SMILES
COc1cccc(S)c1
InChIKey
QMVAZEHZOPDGHA-UHFFFAOYSA-N
InChI
InChI=1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenethiol, 3-methoxy-
  • Benzenethiol, m-methoxy-
  • m-Methoxythiophenol
  • 3-Methoxythiophenol
  • m-Methoxybenzenethiol
  • (m-Methoxyphenyl)thiol
  • 3-Mercaptoanisole
  • 3-Methyloxybenzenethiol
  • 3-Methoxybenzene-1-thiol

Work with 3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dimethoxybenzene151-10-068 % similar 4-Methoxybenzenethiol696-63-956 % similar 3-Chloroanisole2845-89-856 % similar 1-Fluoro-3-methoxybenzene456-49-556 % similar 1,3-Benzenedithiol626-04-055 % similar 3-Methoxyphenol150-19-654 % similar 3-Bromoanisole2398-37-054 % similar M-Anisidine536-90-354 % 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 5-Ethyl-2-thiophenecarboxaldehyde36880-33-8

Elsewhere

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