4-Amino-3-mercaptobenzoic acid
Properties
- Molecular formula
- C7H7NO2S
- Molar mass
- 169.20 g/mol
- Exact mass
- 169.0197 Da
- Melting point
- 290 °C (decomposes)
- logP
- 1.26Crippen estimate
- Polar surface area
- 63.3 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
14543-45-4SMILES
Nc1ccc(C(=O)O)cc1SInChIKey
MHIJDDIBBUUVMD-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO2S/c8-5-2-1-4(7(9)10)3-6(5)11/h1-3,11H,8H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 4-amino-3-mercapto-
- 3-Mercapto-4-aminobenzoic acid
Work with 4-Amino-3-mercaptobenzoic acid
Similar compounds
3,4-Diaminobenzoic acid619-05-668 % similar
4-Amino-3-hydroxybenzoic acid2374-03-062 % similar
2-Aminoterephthalic acid10312-55-761 % similar
2,2'-Diamino-[1,1'-biphenyl]-4,4'-dicarboxylic acid41738-56-161 % similar
4-Amino-3-iodobenzoic acid2122-63-660 % similar
4-Amino-3-methylbenzoic acid2486-70-660 % similar
4-Amino-3-chlorobenzoic acid2486-71-760 % similar
4-Amino-3-fluorobenzoic acid455-87-860 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.