6-Benzothiazolecarboxylic acid
Properties
- Molecular formula
- C8H5NO2S
- Molar mass
- 179.19 g/mol
- Exact mass
- 179.0041 Da
- Melting point
- 245–246 °C
- logP
- 1.99Crippen estimate
- Polar surface area
- 50.2 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3622-35-3SMILES
O=C(O)c1ccc2ncsc2c1InChIKey
DMPZJACLHDWUFS-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1,3-Benzothiazole-6-carboxylic acid
- Benzo[d]thiazole-6-carboxylic acid
- 1: PN: WO2008156676 SEQID: 1 claimed sequence
- Benzothiazole-6-carboxylic acid
Work with 6-Benzothiazolecarboxylic acid
Similar compounds
6-Quinoxalinecarboxylic acid6925-00-456 % similar
2,1,3-Benzothiadiazole-5-carboxylic acid16405-98-454 % similar
6-Quinolinecarboxylic acid10349-57-250 % similar
1H-Benzimidazole-5-carboxylic acid15788-16-650 % similar
2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-550 % similar
4-Bromoquinoline-6-carboxylic acid219763-87-850 % similar
Benzotriazole-5-carboxylic acid23814-12-250 % similar
Quinazoline-6-carboxylic acid676326-53-749 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.