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Molecule
Copper Dimethyldithiocarbamate
CAS: 137-29-1 · C6H12CuN2S4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 137-29-1
- Molecular Formula
- C6H12CuN2S4
- Molecular Mass
- 303.99 g/mol
Identifiers
CAS Registry Number
137-29-1
SMILES
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2]
InChI Key
ZOUQIAGHKFLHIA-UHFFFAOYSA-L
InChI
InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
Names and Synonyms
- Copper Dimethyldithiocarbamate Common Name
- Copper, bis(dimethylcarbamodithioato-κS,κS′)-, (SP-4-1)- Synonym
- Copper, bis(dimethyldithiocarbamato)- Synonym
- Copper, bis(dimethylcarbamodithioato-S,S′)-, (SP-4-1)- Synonym
- Carbamodithioic acid, dimethyl-, copper complex Synonym
- (SP-4-1)-Bis(dimethylcarbamodithioato-κS,κS′)copper Synonym
- Cumate Synonym
- Wolfen Synonym
- Carbamodithioic acid, dimethyl-, copper(2+) salt Synonym
- Copper dimethyldithiocarbamate Synonym
- Copper(II) dimethyldithiocarbamate Synonym
- Dimethyldithiocarbamatocopper Synonym
- Copper bis(dimethyldithiocarbamate) Synonym
- Copper(2+) dimethyldithiocarbamate Synonym
- Hermat Cu Synonym
- Bis(dimethyldithiocarbamato)copper Synonym
- Bis[N,N-dimethyl(dithiocarbamato-S,S′)]copper Synonym
- Cupric N,N-dimethyldithiocarbamate Synonym
- Bis(dimethyldithiocarbamato)copper(II) Synonym
- Nocceler TTCU Synonym
- NSC 32947 Synonym
- Sanceler TT-CU Synonym
- Accelerator TTCU Synonym
- CDDC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.99 g/mol | CAS Common Chemistry |
| 306.986 g/mol | chempirical lib | |
| Density | 1.75 g/cm³ | CAS Common Chemistry |
| 1.75 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [S]1=C([S-][Cu+2]12[S]=C([S-]2)N(C)C)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/2C3H7NS2.Cu/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZOUQIAGHKFLHIA-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 260 °C (decomp) | CAS Common Chemistry |
| Name | Copper dimethyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 0.7571000000000002 | RDKit |
| 0.7571 | RDKit | |
| Molar Refractivity | 67.30000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 302.917929884 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 303.99 g/mol; density = 1.750 g/mL. Edit any field — others recompute live.
