Back to Search
Molecule
2H-Benzimidazole-2-Thione, 1,3-Dihydro-, Zinc Salt (2:1)
CAS: 3030-80-6 · C7H6N2SZn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3030-80-6
- Molecular Formula
- C7H6N2SZn
- Molecular Mass
- 215.60 g/mol
Identifiers
CAS Registry Number
3030-80-6
SMILES
Sc1nc2ccccc2[nH]1.[Zn]
InChI Key
LLZHXQRNOOAOFF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2S.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10);
Names and Synonyms
- 2H-Benzimidazole-2-Thione, 1,3-Dihydro-, Zinc Salt (2:1) Synonym
- 2H-Benzimidazole-2-thione, 1,3-dihydro-, zinc salt (2:1) Synonym
- 2-Benzimidazolethiol, zinc salt (2:1) Synonym
- Zinc, bis(2-benzimidazolethiolato)- Synonym
- Antioxidant ZMB Synonym
- Benzimidazolethiol zinc salt Synonym
- Zinc mercaptobenzimidazole Synonym
- 2-Mercaptobenzimidazole zinc salt (2:1) Synonym
- 2-Mercaptobenzimidazole zinc salt Synonym
- Zinc, bis(1H-benzimidazole-2-thiolato)- Synonym
- Zinc benzimidazole-2-thiolate Synonym
- Zinc bis(1H-benzimidazole-2-thiolate) Synonym
- ZMB Synonym
- Zinc bis(benzimidazole-2-thiolate) Synonym
- Vulkanox ZMB Synonym
- Nocrac MBZ Synonym
- Antage MBZ Synonym
- Zinc 2-mercaptobenzimidazole Synonym
- 1,3-Dihydro-2H-benzimidazole-2-thione zinc salt (2:1) Synonym
- Antioxidant MBZ Synonym
- Antioxidant ZMBI Synonym
- ZMBI Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.60 g/mol | CAS Common Chemistry |
| 215.596 g/mol | RDKit | |
| 218.48 g/mol | chempirical lib | |
| Canonical SMILES | [Zn].S=C1NC=2C=CC=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N2S.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=LLZHXQRNOOAOFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2H-Benzimidazole-2-thione, 1,3-dihydro-, zinc salt (2:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 28.68 Ų | RDKit |
| LogP | 1.8490999999999995 | RDKit |
| 1.8491 | RDKit | |
| Molar Refractivity | 43.345700000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 213.954311392 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 215.60 g/mol. Edit any field — others recompute live.
