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Thioperoxydicarbonimidic Diamide ([(H2N)C(Nh)]2S2), Hydrochloride (1:2)
CAS: 14807-75-1 | C2H8Cl2N4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14807-75-1
Molecular Formula:
C2H8Cl2N4S2
Molecular Mass:
223.15 g/mol
Names and Synonyms:
Thioperoxydicarbonimidic Diamide ([(H2N)C(Nh)]2S2), Hydrochloride (1:2)
Thioperoxydicarbonimidic diamide ([(H2N)C(NH)]2S2), hydrochloride (1:2)
Formamidine, 1,1′-dithiodi-, dihydrochloride
Thioperoxydicarbonimidic diamide ([(H2N)C(NH)]2S2), dihydrochloride
1,1′-Dithiodiformamidine hydrochloride
Formamidine disulfide dihydrochloride
Dithioformamidine dihydrochloride
Diformamidine disulfide dihydrochloride
α,α′-Dithiobisformamidinium dichloride
C,C′-Dithiodiformamidinium dichloride
Dithiobis[diaminomethylcarbonium chloride]
Identifiers:
SMILES:
Cl.Cl.N=C(N)SSC(=N)N
InChI:
InChI=1S/C2H6N4S2.2ClH/c3-1(4)7-8-2(5)6;;/h(H3,3,4)(H3,5,6);2*1H
Key Properties
Melting Point
173-174 °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 | 223.15 g/mol | CAS Common Chemistry |
| 223.15400000000002 g/mol | RDKit | |
| 221.95674361599998 g/mol | RDKit | |
| Canonical SMILES | Cl.N=C(SSC(=N)N)N | CAS Common Chemistry |
| InChI | InChI=1S/C2H6N4S2.2ClH/c3-1(4)7-8-2(5)6;;/h(H3,3,4)(H3,5,6);2*1H | CAS Common Chemistry |
| InChI Key | InChIKey=BFJQSCVWXZOXGK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 173-174 °C (decomp) | CAS Common Chemistry |
| Name | Thioperoxydicarbonimidic diamide ([(H2N)C(NH)]2S2), hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.74 Ų | RDKit |
| LogP | 0.9983400000000004 | RDKit |
| Molar Refractivity | 53.50619999999999 | RDKit |
