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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
Names and Synonyms:
N,N-Dicyclohexyl-2-Benzothiazolesulfenamide
2-Benzothiazolesulfenamide, N,N-dicyclohexyl-
N,N-Dicyclohexyl-2-benzothiazolesulfenamide
Vulkacit DZ
2-Benzothiazolyl-N,N-dicyclohexylsulfenamide
Meramid DCH
DTs
Soxinol DZ
Rhodifax 30
N,N-Dicyclohexyl-2-benzothiazolylsulfenamide
M 181
Accelerator DZ
SA-DTs
Nocceler DZ
Sanceler DZ
Sanceler DZ-G
Santocure DCBS
Sulfenamide DTs
Nocceler DZ-G
DCBS
Accel DZ-G
N,N-Dicyclohexyl-2-mercaptobenzothiazole sulfenamide
Mercure DCBS
Identifiers:
SMILES:
c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1
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
Key Properties
Melting Point
99 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.57 g/mol | CAS Common Chemistry |
| 346.5650000000001 g/mol | RDKit | |
| 346.15374083200004 g/mol | RDKit | |
| 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 |
| LogP | 6.270800000000005 | RDKit |
| Molar Refractivity | 101.06200000000005 | RDKit |
