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Molecule
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
Identifiers
CAS Registry Number
41365-24-6
SMILES
CCN(C(=S)SSC(=S)N(CC)c1ccccc1)c1ccccc1
InChI Key
DNCLGFHLBSMLPC-UHFFFAOYSA-N
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
Names and Synonyms
- Thioperoxydicarbonic Diamide ([(H2N)C(S)]2S2), N,N′-Diethyl-N,N′-Diphenyl- Systematic Name
- Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N′-diethyl-N,N′-diphenyl- Synonym
- Disulfide, bis(ethylphenylthiocarbamoyl) Synonym
- Formanilide, α,α′-dithiobis[N-ethylthio- Synonym
- Diethyldiphenylthiuram disulfide Synonym
- Ekagom TE Synonym
- Thiuram EF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 392.64 g/mol | CAS Common Chemistry |
| 392.64000000000004 g/mol | RDKit | |
| 392.612 g/mol | chempirical lib | |
| 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 |
| 5.9906 | RDKit | |
| 5.72 | chempirical lib | |
| Molar Refractivity | 119.30199999999999 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 392.05093264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 392.64 g/mol. Edit any field — others recompute live.
