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Molecule
Zinc 2-Mercaptobenzothiazole
CAS: 155-04-4 · C7H5NS2Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 155-04-4
- Molecular Formula
- C7H5NS2Zn
- Molecular Mass
- 232.65 g/mol
Identifiers
CAS Registry Number
155-04-4
SMILES
Sc1nc2ccccc2s1.[Zn]
InChI Key
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);
Names and Synonyms
- Zinc 2-Mercaptobenzothiazole Synonym
- 2(3H)-Benzothiazolethione, zinc salt (2:1) Synonym
- 2(3H)-Benzothiazolethione, zinc salt Synonym
- Benzothiazole, 2-mercapto-, zinc salt Synonym
- 2-Mercaptobenzothiazole zinc salt Synonym
- OXAF Synonym
- Pennac ZT Synonym
- Tisperse MB 58 Synonym
- Zenite Synonym
- Zenite Special Synonym
- Zetax Synonym
- Zinc mercaptobenzothiazolate Synonym
- Zinc 2-mercaptobenzothiazole Synonym
- Zinc mercaptobenzothiazole Synonym
- ZMBT Synonym
- Zinc benzothiazolylmercaptide Synonym
- Zinc 2-benzothiazolethiolate Synonym
- Mercaptobenzothiazole zinc salt Synonym
- Bis(2-benzothiazolylthio)zinc Synonym
- Zinc benzothiazol-2-ylthiolate Synonym
- Zinc mercaptobenzothiazole salt Synonym
- Zinc bis(mercaptobenzothiazole) Synonym
- Bis(mercaptobenzothiazolato)zinc Synonym
- Zinc bis(2-mercaptobenzothiazole) Synonym
- Zinc benzothiazolethiolate Synonym
- 2-Benzothiazolethiol zinc salt Synonym
- Hermat Zn-MBT Synonym
- Vulkacit ZM Synonym
- Bis(benzothiazole-2-thiolato)zinc Synonym
- Soxinol MZ Synonym
- Nocceler MZ Synonym
- Sanceler MZ Synonym
- Perkacit ZMBT Synonym
- MZ Synonym
- Accelerator MZ Synonym
- Curekind ZMBT 15 Synonym
- Zinc 2(3H)-benzothiazolethione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.65 g/mol | CAS Common Chemistry |
| 232.64799999999997 g/mol | RDKit | |
| 232.648 g/mol | RDKit | |
| 236.533 g/mol | chempirical lib | |
| Density | 1.70 g/cm³ | CAS Common Chemistry |
| 1.7 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | [Zn].S=C1SC=2C=CC=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9); | CAS Common Chemistry |
| InChI Key | InChIKey=GIUBHMDTOCBOPA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 330 °C | CAS Common Chemistry |
| Name | Zinc 2-mercaptobenzothiazole | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 2.5825000000000005 | RDKit |
| 2.5825 | RDKit | |
| Molar Refractivity | 46.87200000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 230.91548336 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 232.65 g/mol; density = 1.700 g/mL. Edit any field — others recompute live.
