2-Mercapto-5-benzimidazolecarboxylic acid
Properties
- Molecular formula
- C8H6N2O2S
- Molar mass
- 194.21 g/mol
- Exact mass
- 194.0150 Da
- logP
- 1.92Crippen estimate
- Polar surface area
- 68.9 Ų
- H-bond donors / acceptors
- 3 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 4 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
58089-25-1SMILES
C1=CC2=C(C=C1C(=O)O)NC(=S)N2InChIKey
DCRZVUIGGYMOBI-UHFFFAOYSA-NInChI
InChI=1S/C8H6N2O2S/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-Sulfanylidene-2,3-dihydro-1H-1,3-benzodiazole-5-carboxylic acid
Work with 2-Mercapto-5-benzimidazolecarboxylic acid
Similar compounds
Indole-2,5-dicarboxylic acid117140-77-953 % similar
1H-Indole-5-carboxylic acid1670-81-150 % similar
1H-Indole-6-carboxylic acid1670-82-250 % similar
2,6-Naphthalenedicarboxylic acid1141-38-448 % similar
2-Methyl-1H-1,3-benzodiazole-5-carboxylic acid709-19-348 % similar
1H-Benzimidazole-5-carboxylic acid15788-16-648 % similar
1H-Indazole-6-carboxylic acid704-91-648 % similar
Terephthalic acid100-21-047 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.