chempirical

Zinc 2-mercaptobenzothiazole

C14H8N2S4ZnCAS 155-04-4397.85 g/mol

Open in Covalent MOL file
S−NSS−NSZn2+
Thiol

Properties

Molecular formula
C14H8N2S4Zn
Molar mass
397.85 g/mol
Exact mass
395.8862 Da
Density
1.7 g/mL (at 25 °C)
Melting point
330 °C
logP
2.58Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
155-04-4
SMILES
[S-]c1nc2ccccc2s1.[S-]c1nc2ccccc2s1.[Zn+2]
InChIKey
GIUBHMDTOCBOPA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);

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

Names and synonyms

35 names · show all
  • 2(3H)-Benzothiazolethione, zinc salt (2:1)
  • 2(3H)-Benzothiazolethione, zinc salt
  • Benzothiazole, 2-mercapto-, zinc salt
  • 2-Mercaptobenzothiazole zinc salt
  • OXAF
  • Pennac ZT
  • Tisperse MB 58
  • Zenite
  • Zenite special
  • Zetax
  • Zinc mercaptobenzothiazolate
  • Zinc mercaptobenzothiazole
  • ZMBT
  • Zinc benzothiazolylmercaptide
  • Zinc 2-benzothiazolethiolate
  • Mercaptobenzothiazole zinc salt
  • Bis(2-benzothiazolylthio)zinc
  • Zinc benzothiazol-2-ylthiolate
  • Zinc mercaptobenzothiazole salt
  • Zinc bis(mercaptobenzothiazole)
  • Bis(mercaptobenzothiazolato)zinc
  • Zinc bis(2-mercaptobenzothiazole)
  • Zinc benzothiazolethiolate
  • 2-Benzothiazolethiol zinc salt
  • Hermat zn-MBT
  • Vulkacit ZM
  • Bis(benzothiazole-2-thiolato)zinc
  • Soxinol MZ
  • Nocceler MZ
  • Sanceler MZ
  • Perkacit ZMBT
  • MZ
  • Accelerator MZ
  • Curekind ZMBT 15
  • Zinc 2(3H)-benzothiazolethione

Work with Zinc 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Mercaptobenzothiazole149-30-4Parent compound 2-Mercaptobenzothiazole sodium salt2492-26-4Salt

Similar compounds

1,3-Benzothiazole-2-carbaldehyde6639-57-247 % similar 2-Fluorobenzothiazole1123-98-447 % similar 2-Methylbenzothiazole120-75-247 % similar Accelerator DM120-78-547 % similar 2,2′-Methylenebis[benzothiazole]1945-78-447 % similar 2-Bromobenzothiazole2516-40-747 % similar 2-Chlorobenzothiazole615-20-347 % similar 2-Benzothiazolinone934-34-947 % similar

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

Elsewhere

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