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Molecule
Sodium Dibutyldithiocarbamate
CAS: 136-30-1 · C9H19NNaS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 136-30-1
- Molecular Formula
- C9H19NNaS2
- Molecular Mass
- 228.38 g/mol
Identifiers
CAS Registry Number
136-30-1
SMILES
CCCCN(CCCC)C(=S)S.[Na]
InChI Key
DQUKJTRRFYJQAS-UHFFFAOYSA-N
InChI
InChI=1S/C9H19NS2.Na/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12);
Names and Synonyms
- Sodium Dibutyldithiocarbamate Common Name
- Carbamodithioic acid, N,N-dibutyl-, sodium salt (1:1) Synonym
- Carbamic acid, dibutyldithio-, sodium salt Synonym
- Carbamodithioic acid, dibutyl-, sodium salt Synonym
- Butyl Namate Synonym
- Dibutyldithiocarbamic acid sodium salt Synonym
- Pennac SDB Synonym
- Sodium DBDT Synonym
- Sodium dibutyldithiocarbamate Synonym
- Tepidone Synonym
- Tepidone rubber accelerator Synonym
- Vulcacure NB Synonym
- Sodium N,N-dibutyldithiocarbamate Synonym
- Dibutyl sodium dithiocarbamate Synonym
- Accel TP Synonym
- Nocceler TP Synonym
- Sodium di-n-butyldithiocarbamate Synonym
- Accelerator TP Synonym
- SDBC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 228.38 g/mol | CAS Common Chemistry |
| 228.382 g/mol | RDKit | |
| 229.376 g/mol | chempirical lib | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.09 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Na].S=C(S)N(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H19NS2.Na/c1-3-5-7-10(9(11)12)8-6-4-2;/h3-8H2,1-2H3,(H,11,12); | CAS Common Chemistry |
| InChI Key | InChIKey=DQUKJTRRFYJQAS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium dibutyldithiocarbamate | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 2.7225000000000015 | RDKit |
| 2.7225 | RDKit | |
| Molar Refractivity | 68.72700000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 228.08566088799998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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120
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40
20
0 ppm
| 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.
External Resources
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MW = 228.38 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
