chempirical

2-Mercaptobenzothiazole sodium salt

C7H4NNaS2CAS 2492-26-4189.23 g/mol

Open in Covalent MOL file
S−NSNa+
Thiol

Properties

Molecular formula
C7H4NNaS2
Molar mass
189.23 g/mol
Exact mass
188.9683 Da
Melting point
above 300 °C
logP
2.20Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
2492-26-4
SMILES
[S-]c1nc2ccccc2s1.[Na+]
InChIKey
KRXFTOUYGXMRRU-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NS2.Na/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);

Weigh it out

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

Names and synonyms

17 names · show all
  • 2(3H)-Benzothiazolethione, sodium salt (1:1)
  • 2(3H)-Benzothiazolethione, sodium salt
  • Sodium, (2-benzothiazolylthio)-
  • Benzothiazole, 2-mercapto-, sodium deriv.
  • Duodex
  • Sodium 2-mercaptobenzothiazole
  • Sodium 2-benzothiazolethiolate
  • Nacap
  • Sodium 2-benzothiazolethioate
  • Sodium 2-mercaptobenzothiazolate
  • 2-Benzothiazolethiol sodium salt
  • Sodium MBT
  • Sanbit N-G
  • Sodium 2-benzothiazolylthiolate
  • Norust GL 50
  • Sodium 2(3H)-benzothiazolethione
  • 1,3-Benzothiazol-2-ylsulfanylsodium

Work with 2-Mercaptobenzothiazole sodium salt

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

Zinc 2-mercaptobenzothiazole155-04-479 % similar 2-Fluorobenzothiazole1123-98-447 % similar 2-Methylbenzothiazole120-75-247 % similar Accelerator dm120-78-547 % similar Mercaptobenzothiazole149-30-447 % similar 2,2′-Methylenebis[benzothiazole]1945-78-447 % similar 2-Bromobenzothiazole2516-40-747 % similar 2-Chlorobenzothiazole615-20-347 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook