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Molecule
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
Identifiers
CAS Registry Number
14807-75-1
SMILES
Cl.Cl.N=C(N)SSC(=N)N
InChI Key
BFJQSCVWXZOXGK-UHFFFAOYSA-N
InChI
InChI=1S/C2H6N4S2.2ClH/c3-1(4)7-8-2(5)6;;/h(H3,3,4)(H3,5,6);2*1H
Names and Synonyms
- Thioperoxydicarbonimidic Diamide ([(H2N)C(Nh)]2S2), Hydrochloride (1:2) Systematic Name
- Thioperoxydicarbonimidic diamide ([(H2N)C(NH)]2S2), hydrochloride (1:2) Synonym
- Formamidine, 1,1′-dithiodi-, dihydrochloride Synonym
- Thioperoxydicarbonimidic diamide ([(H2N)C(NH)]2S2), dihydrochloride Synonym
- 1,1′-Dithiodiformamidine hydrochloride Synonym
- Formamidine disulfide dihydrochloride Synonym
- Dithioformamidine dihydrochloride Synonym
- Diformamidine disulfide dihydrochloride Synonym
- α,α′-Dithiobisformamidinium dichloride Synonym
- C,C′-Dithiodiformamidinium dichloride Synonym
- Dithiobis[diaminomethylcarbonium chloride] Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 223.15 g/mol | CAS Common Chemistry |
| 223.15400000000002 g/mol | RDKit | |
| 223.154 g/mol | RDKit | |
| 223.134 g/mol | chempirical lib | |
| 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 |
| 0.9983 | RDKit | |
| Molar Refractivity | 53.50619999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 221.95674361599998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| 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 = 223.15 g/mol. Edit any field — others recompute live.
