4-Methoxybenzenethiol

C₇H₈OSCAS 696-63-9140.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈OS
Molar mass: 140.20 g/mol
Exact mass: 140.0296 Da
Density: 1.1313 g/mL (at 25 °C)
Melting point: 291.7–295.8 °C (decomposes)
Boiling point: 228 °C
logP: 1.98Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

696-63-9

SMILES

COc1ccc(S)cc1

InChIKey

NIFAOMSJMGEFTQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3

Weigh it out

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

Names and synonyms

13 names · show all

p-Mercaptoanisole
Benzenethiol, 4-methoxy-
Benzenethiol, p-methoxy-
p-Methoxythiophenol
p-Methoxybenzenethiol
4-Methoxythiophenol
4-Mercaptoanisole
p-Methoxyphenyl mercaptan
p-Methoxyphenylthiol
4-Methoxyphenylthiol
NSC 100727
4-Methoxyphenyl mercaptan
4-Methoxybenzene-1-thiol

Work with 4-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

1,4-Dimethoxybenzene150-78-767 % similar 4-Methylanisole104-93-852 % similar 4-Methoxypyridine620-08-652 % similar Anisole100-66-350 % similar Bis(4-methoxyphenyl)amine101-70-250 % similar 4-Bromoanisole104-92-750 % similar P-Anisidine104-94-950 % similar 4-Methoxyphenol150-76-550 % 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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