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Molecule
Dimethyl N-Cyanodithioiminocarbonate
CAS: 10191-60-3 · C4H6N2S2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10191-60-3
- Molecular Formula
- C4H6N2S2
- Molecular Mass
- 146.24 g/mol
Identifiers
CAS Registry Number
10191-60-3
SMILES
CSC(=NC#N)SC
InChI Key
IULFXBLVJIPESI-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3
Names and Synonyms
- Dimethyl N-Cyanodithioiminocarbonate Common Name
- Carbonimidodithioic acid, N-cyano-, dimethyl ester Synonym
- Imidocarbonic acid, cyanodithio-, dimethyl ester Synonym
- Carbonimidodithioic acid, cyano-, dimethyl ester Synonym
- Dimethyl cyanoiminodithiocarbonate Synonym
- S,S-Dimethyl (N-cyanoimido)dithiocarbonate Synonym
- S,S-Dimethyl cyanoiminodithiocarbamate Synonym
- Dimethyl cyanimidodithiocarbonate Synonym
- Dimethyl N-cyanoimidodithiocarbonate Synonym
- (Cyanimino)bis(methylthio)methane Synonym
- Dimethyl cyanocarbonimidodithioate Synonym
- Dimethyl cyanodithioimidocarbonate Synonym
- Dimethyl cyanoimidodithiocarbonate Synonym
- (Cyanimino)dimethyldithiocarbonate Synonym
- S,S′-Dimethyl cyanodithioimidocarbonate Synonym
- Dimethyl N-cyanoiminodithiocarbonate Synonym
- Dimethyl N-cyanodithioimidocarbonate Synonym
- Dimethyl N-cyanodithiocarbonimidate Synonym
- Dimethyl N-cyanodithioiminocarbonate Synonym
- N-[Bis(methylthio)methylene]cyanamide Synonym
- N-Cyanoiminodithiocarbonic acid dimethyl ester Synonym
- S,S′-Dimethyl N-cyanodithioiminocarbonate Synonym
- Dimethyl (N-cyano) carbonimidodithioate Synonym
- NSC 145987 Synonym
- S,S-Dimethyl cyanoimidodithiocarbonate Synonym
- Cyanocarbonodithioimidic acid dimethyl ester Synonym
- [Bis(methylsulfanyl)methylidene](cyano)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.24 g/mol | CAS Common Chemistry |
| 146.226 g/mol | chempirical lib | |
| Canonical SMILES | N#CN=C(SC)SC | CAS Common Chemistry |
| InChI | InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IULFXBLVJIPESI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48-52 °C | CAS Common Chemistry |
| Name | Dimethyl N-cyanodithioiminocarbonate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.15 Ų | RDKit |
| LogP | 1.54948 | RDKit |
| 1.5495 | RDKit | |
| 1.44 | chempirical lib | |
| Molar Refractivity | 40.07800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 145.997240192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 146.24 g/mol. Edit any field — others recompute live.
