Back to Search
Tetrabenzylthiuram Disulfide
CAS: 10591-85-2 | C30H28N2S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10591-85-2
Molecular Formula:
C30H28N2S4
Molecular Mass:
544.84 g/mol
Names and Synonyms:
Tetrabenzylthiuram Disulfide
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N′,N′-tetrakis(phenylmethyl)-
Disulfide, bis(dibenzylthiocarbamoyl)
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrakis(phenylmethyl)-
Tetrabenzylthiuram disulfide
N,N,N′,N′-Tetrabenzylthiuram disulfide
NSC 608475
Benzyl Tuex
Perkacit TBzTD
Cure-rite TBzD
Sanceler TBzTD
Nocceler TBzTD
Accel TBZT
Accel TBZTD
Rhenogran TBzTD 70
Tetrakis(phenylmethyl)thioperoxydi(carbothioamide)
Accelerator TBzTD
TBzTD
Rhenogran TBzTD 80
TBZTD 80
TBZTD 70
TBzTD 70GE
Perkacit TBzTD PDR-D
TBzTD 75GE
Identifiers:
SMILES:
S=C(SSC(=S)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
Key Properties
Melting Point
137 °C @ Solvent: Dichloromethane, Hexane
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 | 544.84 g/mol | CAS Common Chemistry |
| 544.8360000000004 g/mol | RDKit | |
| 544.113532896 g/mol | RDKit | |
| Canonical SMILES | S=C(SSC(=S)N(CC=1C=CC=CC1)CC=2C=CC=CC2)N(CC=3C=CC=CC3)CC=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WITDFSFZHZYQHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137 °C @ Solvent: Dichloromethane, Hexane | CAS Common Chemistry |
| Name | Tetrabenzylthiuram disulfide | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 8.342400000000005 | RDKit |
| Molar Refractivity | 164.6399999999996 | RDKit |
