Back to Search
Thioperoxydicarbonic Diamide ([(H2N)C(S)]2S2), N,N′-Diethyl-N,N′-Diphenyl-
CAS: 41365-24-6 | C18H20N2S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
41365-24-6
Molecular Formula:
C18H20N2S4
Molecular Mass:
392.64 g/mol
Names and Synonyms:
Thioperoxydicarbonic Diamide ([(H2N)C(S)]2S2), N,N′-Diethyl-N,N′-Diphenyl-
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N′-diethyl-N,N′-diphenyl-
Disulfide, bis(ethylphenylthiocarbamoyl)
Formanilide, α,α′-dithiobis[N-ethylthio-
Diethyldiphenylthiuram disulfide
Ekagom TE
Thiuram EF
Identifiers:
SMILES:
CCN(C(=S)SSC(=S)N(CC)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H20N2S4/c1-3-19(15-11-7-5-8-12-15)17(21)23-24-18(22)20(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
Key Properties
Melting Point
83-84 °C (decomp)
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 | 392.64 g/mol | CAS Common Chemistry |
| 392.64000000000004 g/mol | RDKit | |
| 392.05093264 g/mol | RDKit | |
| Canonical SMILES | S=C(SSC(=S)N(C=1C=CC=CC1)CC)N(C=2C=CC=CC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C18H20N2S4/c1-3-19(15-11-7-5-8-12-15)17(21)23-24-18(22)20(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DNCLGFHLBSMLPC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 83-84 °C (decomp) | CAS Common Chemistry |
| Name | Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N′-diethyl-N,N′-diphenyl- | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 5.990600000000005 | RDKit |
| Molar Refractivity | 119.30199999999999 | RDKit |
