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Zinc 2-Mercaptobenzothiazole
CAS: 155-04-4 | C7H5NS2Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
155-04-4
Molecular Formula:
C7H5NS2Zn
Molecular Mass:
232.65 g/mol
Names and Synonyms:
Zinc 2-Mercaptobenzothiazole
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 2-mercaptobenzothiazole
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
Identifiers:
SMILES:
Sc1nc2ccccc2s1.[Zn]
InChI:
InChI=1S/C7H5NS2.Zn/c9-7-8-5-3-1-2-4-6(5)10-7;/h1-4H,(H,8,9);
Key Properties
Melting Point
330 °C
CAS Common Chemistry
Density
1.70 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.65 g/mol | CAS Common Chemistry |
| 232.64799999999997 g/mol | RDKit | |
| 230.91548336 g/mol | RDKit | |
| Density | 1.70 g/cm³ | CAS Common Chemistry |
| 1.7 g/cm3 @ Temp: 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 |
| Molar Refractivity | 46.87200000000002 | RDKit |
