Back to Search
Molecule
N,N-Dicyclohexyl-2-Benzothiazolesulfenamide
CAS: 4979-32-2 · C19H26N2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4979-32-2
- Molecular Formula
- C19H26N2S2
- Molecular Mass
- 346.57 g/mol
Identifiers
CAS Registry Number
4979-32-2
SMILES
c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1
InChI Key
CMAUJSNXENPPOF-UHFFFAOYSA-N
InChI
InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2
Names and Synonyms
- N,N-Dicyclohexyl-2-Benzothiazolesulfenamide Systematic Name
- 2-Benzothiazolesulfenamide, N,N-dicyclohexyl- Synonym
- N,N-Dicyclohexyl-2-benzothiazolesulfenamide Synonym
- Vulkacit DZ Synonym
- 2-Benzothiazolyl-N,N-dicyclohexylsulfenamide Synonym
- Meramid DCH Synonym
- DTs Synonym
- Soxinol DZ Synonym
- Rhodifax 30 Synonym
- N,N-Dicyclohexyl-2-benzothiazolylsulfenamide Synonym
- M 181 Synonym
- Accelerator DZ Synonym
- SA-DTs Synonym
- Nocceler DZ Synonym
- Sanceler DZ Synonym
- Sanceler DZ-G Synonym
- Santocure DCBS Synonym
- Sulfenamide DTs Synonym
- Nocceler DZ-G Synonym
- DCBS Synonym
- Accel DZ-G Synonym
- N,N-Dicyclohexyl-2-mercaptobenzothiazole sulfenamide Synonym
- Mercure DCBS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.57 g/mol | CAS Common Chemistry |
| 346.5650000000001 g/mol | RDKit | |
| 346.565 g/mol | RDKit | |
| 348.444 g/mol | chempirical lib | |
| Canonical SMILES | N1=C(SC=2C=CC=CC12)SN(C3CCCCC3)C4CCCCC4 | CAS Common Chemistry |
| InChI | InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=CMAUJSNXENPPOF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 99 °C | CAS Common Chemistry |
| Name | N,N-Dicyclohexyl-2-benzothiazolesulfenamide | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 16.130000000000003 Ų | RDKit |
| 16.13 Ų | RDKit | |
| LogP | 6.270800000000005 | RDKit |
| 6.2708 | RDKit | |
| Molar Refractivity | 101.06200000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6316 | RDKit |
| Exact Mass | 346.15374083200004 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 = 346.57 g/mol. Edit any field — others recompute live.
