3-Methoxybenzenethiol

C₇H₈OSCAS 15570-12-4140.20 g/mol

Open in Covalent MOL file

Ether Thiol

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed27% of notifiers
H302 Harmful if swallowed70.8% of notifiers
H312 Harmful in contact with skin67.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled67.2% of notifiers
H335 May cause respiratory irritation99.3% of notifiers

Aggregated from 137 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

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 3,3'-Dimethoxybiphenyl6161-50-860 % similar 4-Methoxybenzenethiol696-63-956 % similar 3-Methylanisole100-84-556 % similar 3-Chloroanisole2845-89-856 % similar 1-Fluoro-3-methoxybenzene456-49-556 % similar 3-Ethoxy thiophenol86704-82-755 % similar 1,3-Benzenedithiol626-04-055 % 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 2,5-Dimethylthiophene-3-carbaldehyde26421-44-3

Elsewhere

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