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Molecule
Zinc Dibenzyldithiocarbamate
CAS: 14726-36-4 · C30H28N2S4Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14726-36-4
- Molecular Formula
- C30H28N2S4Zn
- Molecular Mass
- 610.23 g/mol
Identifiers
CAS Registry Number
14726-36-4
SMILES
S=C([S-])N(Cc1ccccc1)Cc1ccccc1.S=C([S-])N(Cc1ccccc1)Cc1ccccc1.[Zn+2]
InChI Key
AUMBZPPBWALQRO-UHFFFAOYSA-L
InChI
InChI=1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2
Names and Synonyms
- Zinc Dibenzyldithiocarbamate Common Name
- Zinc, bis[N,N-bis(phenylmethyl)carbamodithioato-κS,κS′]-, (T-4)- Synonym
- Zinc, bis(dibenzyldithiocarbamato)- Synonym
- Zinc, bis[bis(phenylmethyl)carbamodithioato-S,S′]-, (T-4)- Synonym
- Zinc, bis[bis(phenylmethyl)carbamodithioato-κS,κS′]-, (T-4)- Synonym
- (T-4)-Bis[N,N-bis(phenylmethyl)carbamodithioato-κS,κS′]zinc Synonym
- Zinc dibenzyldithiocarbamate Synonym
- Bis(dibenzyldithiocarbamato)zinc Synonym
- Rhenogran ZBEC 70 Synonym
- Vulkacit ZBEC Synonym
- Nocceler ZTC Synonym
- Arazate Synonym
- Perkacit ZBEC Synonym
- Vulkacit ZBEC/C Synonym
- (N,N-Dibenzyldithiocarbamato)zinc Synonym
- ZBEC Synonym
- Sanceler Z-BE Synonym
- DBZ Synonym
- Avorator ZBEC 70GE Synonym
- Accelerator ZBEC Synonym
- Nocceler Z Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 610.23 g/mol | CAS Common Chemistry |
| 610.2260000000003 g/mol | RDKit | |
| 610.226 g/mol | RDKit | |
| 614.22 g/mol | chempirical lib | |
| Canonical SMILES | [S]1=C([S-][Zn+2]12[S]=C([S-]2)N(CC=3C=CC=CC3)CC=4C=CC=CC4)N(CC=5C=CC=CC5)CC=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/2C15H15NS2.Zn/c2*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h2*1-10H,11-12H2,(H,17,18);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=AUMBZPPBWALQRO-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Zinc dibenzyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 7.038700000000007 | RDKit |
| 7.0387 | RDKit | |
| Molar Refractivity | 164.18799999999962 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1333 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 608.042675096 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 610.23 g/mol. Edit any field — others recompute live.
