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Dipentamethylenethiuram Tetrasulfide
CAS: 120-54-7 | C12H20N2S6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-54-7
Molecular Formula:
C12H20N2S6
Molecular Mass:
384.71 g/mol
Names and Synonyms:
Dipentamethylenethiuram Tetrasulfide
TRA (accelerator)
Methanethione, 1,1′-tetrathiobis[1-(1-piperidinyl)-
Tetrasulfide, bis(piperidinothiocarbonyl)
Piperidine, 1,1′-(tetrathiodicarbonothioyl)bis-
1,1′-Tetrathiobis[1-(1-piperidinyl)methanethione]
Dipentamethylenethiuram tetrasulfide
Tetrone A
Bis(pentamethylene)thiuram tetrasulfide
Bis(piperidinothiocarbonyl) tetrasulfide
Thiuram MT
Nocceler TRA
Tetron A
Sulfads
Soxinol TRA
Sanceler TRA
Sanceler TRA-C
NSC 4823
Accel TRA
TRA
KE 7699
DPTT
Accelerator DPTT
Ekaland DPTT-C
Rhenogran DPTT 70
DPTT 70
TRA 70
Accelerator TRA
(Piperidine-1-carbothioyltrisulfanyl) piperidine-1-carbodithioate
Identifiers:
SMILES:
S=C(SSSSC(=S)N1CCCCC1)N1CCCCC1
InChI:
InChI=1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2
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 | 384.71 g/mol | CAS Common Chemistry |
| 384.7080000000004 g/mol | RDKit | |
| 383.99507464000004 g/mol | RDKit | |
| Canonical SMILES | S=C(SSSSC(=S)N1CCCCC1)N2CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VNDRMZTXEFFQDR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dipentamethylenethiuram tetrasulfide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 5.205800000000004 | RDKit |
| Molar Refractivity | 106.40800000000004 | RDKit |
