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Dimethyl N-Cyanodithioiminocarbonate
CAS: 10191-60-3 | C4H6N2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10191-60-3
Molecular Formula:
C4H6N2S2
Molecular Weight:
146.24 g/mol
Names and Synonyms:
Dimethyl N-Cyanodithioiminocarbonate
N-[Bis(methylthio)methylene]cyanamide
Dimethyl N-cyanodithiocarbonimidate
(Cyanimino)dimethyldithiocarbonate
S,S-Dimethyl (N-cyanoimido)dithiocarbonate
Imidocarbonic acid, cyanodithio-, dimethyl ester
Carbonimidodithioic acid, N-cyano-, dimethyl ester
[Bis(methylsulfanyl)methylidene](cyano)amine
Cyanocarbonodithioimidic acid dimethyl ester
NSC 145987
S,S′-Dimethyl N-cyanodithioiminocarbonate
Dimethyl N-cyanodithioimidocarbonate
Dimethyl N-cyanoiminodithiocarbonate
Dimethyl N-cyanoimidodithiocarbonate
S,S-Dimethyl cyanoimidodithiocarbonate
Dimethyl (N-cyano) carbonimidodithioate
Dimethyl N-cyanodithioiminocarbonate
Dimethyl cyanoimidodithiocarbonate
Dimethyl cyanodithioimidocarbonate
Dimethyl cyanimidodithiocarbonate
Dimethyl cyanoiminodithiocarbonate
Carbonimidodithioic acid, cyano-, dimethyl ester
N-Cyanoiminodithiocarbonic acid dimethyl ester
S,S′-Dimethyl cyanodithioimidocarbonate
Dimethyl cyanocarbonimidodithioate
(Cyanimino)bis(methylthio)methane
S,S-Dimethyl cyanoiminodithiocarbamate
Identifiers:
SMILES:
CSC(=NC#N)SC
InChI:
InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.24 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.997240192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 36.15 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.54948 | RDKit |
| molecular_mass | 146.24 g/mol | Legacy Database |
| cas-canonical-smile | N#CN=C(SC)SC None | Legacy Database |
| cas-inchi | InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=IULFXBLVJIPESI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 48-52 °C None | Legacy Database |
| cas-name | Dimethyl N-cyanodithioiminocarbonate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.07800000000002 | RDKit |
