Thiobenzoic acid
Properties
- Molecular formula
- C7H6OS
- Molar mass
- 138.18 g/mol
- Exact mass
- 138.0139 Da
- Melting point
- 24 °C
- Boiling point
- 75 °C (at 3 Torr)
- logP
- 1.76Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H290 May be corrosive to metals18.6% of notifiers
- H314 Causes severe skin burns and eye damage25.4% of notifiers
- H315 Causes skin irritation74.6% of notifiers
- H318 Causes serious eye damage10.2% of notifiers
- H319 Causes serious eye irritation74.6% of notifiers
- H335 May cause respiratory irritation83.1% of notifiers
Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
98-91-9SMILES
O=C(S)c1ccccc1InChIKey
UIJGNTRUPZPVNG-UHFFFAOYSA-NInChI
InChI=1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzenecarbothioic acid
- Benzoic acid, thio-
- Benzoic acid, thiono-
- Benzoyl thiol
- Monothiobenzoic acid
- NSC 66502
- Benzothioic acid
Reactions
Work with Thiobenzoic acid
Similar compounds
1,4-Dibenzoylbenzene3016-97-548 % similar
Benzoyl bromide618-32-646 % similar
1,2-Dibenzoylbenzene1159-86-044 % similar
Thiobenzamide2227-79-444 % similar
1,4-Diphenyl-2-butene-1,4-dione4070-75-144 % similar
1,4-Diphenyl-1,4-butanedione495-71-644 % similar
Benzoic acid65-85-044 % similar
Benzoyl peroxide94-36-044 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds