4-Methoxybenzenethiol
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 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed98.2% of notifiers
- H312 Harmful in contact with skin78.6% of notifiers
- H315 Causes skin irritation89.3% of notifiers
- H319 Causes serious eye irritation89.3% of notifiers
- H332 Harmful if inhaled78.6% of notifiers
- H335 May cause respiratory irritation83.9% of notifiers
Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
696-63-9SMILES
COc1ccc(S)cc1InChIKey
NIFAOMSJMGEFTQ-UHFFFAOYSA-NInChI
InChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3Weigh 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
4,4'-Dimethoxybiphenyl2132-80-157 % similar
4-Methylanisole104-93-852 % similar
4-Methoxypyridine620-08-652 % similar
Anisole100-66-350 % similar
4,4′-Dimethoxydiphenylamine101-70-250 % similar
4-Bromoanisole104-92-750 % similar
P-Anisidine104-94-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.