Methyl thiosalicylate
Properties
- Molecular formula
- C8H8O2S
- Molar mass
- 168.21 g/mol
- Exact mass
- 168.0245 Da
- Melting point
- 164 °C
- Boiling point
- 115–119 °C (at NaN Torr)
- logP
- 1.76Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin91.1% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled91.1% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
4892-02-8SMILES
COC(=O)c1ccccc1SInChIKey
BAQGCWNPCFABAY-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2S/c1-10-8(9)6-4-2-3-5-7(6)11/h2-5,11H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzoic acid, 2-mercapto-, methyl ester
- Benzoic acid, o-mercapto-, methyl ester
- Methyl 2-mercaptobenzoate
- Methyl o-mercaptobenzoate
- 2-(Methoxycarbonyl)thiophenol
- 2-Mercaptobenzoic acid methyl ester
- Methyl 2-thiosalicylate
- NSC 30156
- 2-(Methoxycarbonyl)benzenethiol
- Thiosalicylic acid methyl ester
- Methyl 2-sulfanylbenzoate
Work with Methyl thiosalicylate
Similar compounds
Dimethyl phthalate131-11-370 % similar
Methyl 2-bromobenzoate610-94-659 % similar
Methyl 2-methylbenzoate89-71-459 % similar
Methyl salicylate119-36-858 % similar
Methyl anthranilate134-20-358 % similar
Methyl 2-fluorobenzoate394-35-458 % similar
Methyl 2-methoxybenzoate606-45-158 % similar
Methyl 2-chlorobenzoate610-96-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds