chempirical

6-Amino-2-mercaptobenzothiazole

C7H6N2S2CAS 7442-07-1182.26 g/mol

Open in Covalent MOL file
H2NNSHS
Primary amineThiol

Properties

Molecular formula
C7H6N2S2
Molar mass
182.26 g/mol
Exact mass
181.9972 Da
Melting point
260–262 °C
logP
2.17Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
7442-07-1
SMILES
Nc1ccc2nc(S)sc2c1
InChIKey
IDPNFKLUBIKHSW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2S2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10)

Weigh it out

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

Names and synonyms

10 names
  • 2(3H)-Benzothiazolethione, 6-amino-
  • 2-Benzothiazolethiol, 6-amino-
  • Benzothiazole, 6-amino-2-mercapto-
  • 6-Amino-2(3H)-benzothiazolethione
  • 6-Amino-2-benzothiazolethiol
  • 6-Amino-2-benzothiazolinethione
  • 6-Amino-1,3-benzothiazole-2-thiol
  • NSC 45347
  • NSC 7916
  • 6-Amino-1,3-benzothiazole-2(3H)-thione

Work with 6-Amino-2-mercaptobenzothiazole

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

Similar compounds

Mercaptobenzothiazole149-30-453 % similar 6-Ethoxy-2-mercaptobenzothiazole120-53-650 % similar 6-Nitro-2(3H)-benzothiazolethione4845-58-350 % similar 5-Chloro-2-mercaptobenzothiazole5331-91-946 % similar 6-Benzothiazolamine533-30-246 % similar 2-(4-Aminophenyl)-6-methylbenzothiazole92-36-443 % similar 5-Amino-2-methylbenzothiazole13382-43-942 % similar 5-Amino-2-mercaptobenzimidazole2818-66-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook