2-Amino-6-benzothiazolecarboxylic acid

C₈H₆N₂O₂SCAS 93-85-6194.21 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Sulfide

Properties

Molecular formula: C₈H₆N₂O₂S
Molar mass: 194.21 g/mol
Exact mass: 194.0150 Da
Melting point: 265 °C (decomposes)
logP: 1.41Crippen estimate
Polar surface area: 76.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Identifiers

CAS number

93-85-6

SMILES

N=c1[nH]c2ccc(C(=O)O)cc2s1

InChIKey

ZEAKWWWXCZMODH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h1-3H,(H2,9,10)(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

6-Benzothiazolecarboxylic acid, 2-amino-
2-Amino-6-carboxybenzothiazole
NSC 39119
2-Amino-1,3-benzothiazole-6-carboxylic acid
2-Aminobenzo[d]thiazole-6-carboxylic acid

Work with 2-Amino-6-benzothiazolecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(4-Nitrophenyl)methyl thiocyanate13287-49-5 Methyl 2,1,3-benzothiadiazole-5-carboxylate175204-21-4

Elsewhere

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