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| CAS No.: | 10191-60-3 |
|---|---|
| Name: | N-Cyanoimido-S,S-dimethyl-dithiocarbonate |
| Article Data: | 25 |
| Molecular Structure: | |
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|
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| Formula: | C4H6N2S2 |
| Molecular Weight: | 146.237 |
| Synonyms: | Carbonimidodithioicacid, cyano-, dimethyl ester (9CI);Imidocarbonic acid, cyanodithio-, dimethylester (8CI);(Cyanimino)bis(methylthio)methane;(Cyanimino)dimethyldithiocarbonate;Dimethyl (N-cyano) carbonimidodithioate;Dimethyl N-cyanodithiocarbonimidate;Dimethyl N-cyanodithioimidocarbonate;Dimethyl cyanocarbonimidodithioate;N-Cyanoiminodithiocarbonic acid dimethyl ester;N-[Bis(methylthio)methylene]cyanamide;NSC 145987;S,S-Dimethyl(N-cyanoimido)dithiocarbonate;S,S-Dimethyl cyanoimidodithiocarbonate;S,S-Dimethyl cyanoiminodithiocarbamate;S,S'-DimethylN-cyanodithioiminocarbonate;S,S'-Dimethyl cyanodithioimidocarbonate;N-Cyanoimido-S,S-dimethyl-dithiocarbonate; |
| EINECS: | 233-467-6 |
| Density: | 1.16 g/cm3 |
| Melting Point: | 45-50 °C(lit.) |
| Boiling Point: | 229.6 °C at 760 mmHg |
| Flash Point: | 92.6 °C |
| Appearance: | yellow crystalline powder |
| Hazard Symbols: |
 C, T
|
| Risk Codes: | 22-34-23/24/25-36/37 |
| Safety: | 26-36/37/39-45-38-28A-7/9 |
| Transport Information: | UN 1759 8/PG 2 |
| PSA: | 86.75000 |
| LogP: | 1.54948 |
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- 75-15-0
carbon disulfide
- 420-04-2
CYANAMID
- 77-78-1
dimethyl sulfate
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
| Conditions | Yield |
|---|---|
| Stage #1: CYANAMID With potassium hydroxide In acetone for 0.25h; Stage #2: carbon disulfide In acetone at 10 - 15℃; for 2h; Stage #3: dimethyl sulfate at 40 - 45℃; for 6h; | 93% |
| Yield given. Multistep reaction; |
- 74-87-3
methylene chloride
- 35042-86-5
Cyanimidokohlensaeure
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
| Conditions | Yield |
|---|---|
| In methanol 1.) 30 deg C, 58 min, 2.) 64 deg C, 1 h; | 89% |
- 75-15-0
carbon disulfide
- 156-62-7
calcium cyanamide
- 77-78-1
dimethyl sulfate
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
| Conditions | Yield |
|---|---|
| Stage #1: carbon disulfide; calcium cyanamide With sodium carbonate In water at 40 - 45℃; for 5h; Stage #2: dimethyl sulfate at 0 - 20℃; for 2h; | 82% |
- 13145-41-0
potassium cyanocarbonimidodithioate
- 77-78-1
dimethyl sulfate
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
| Conditions | Yield |
|---|---|
| In methanol at 20℃; | 75% |
- 75-15-0
carbon disulfide
- 420-04-2
CYANAMID
- 74-88-4
methyl iodide
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
| Conditions | Yield |
|---|---|
| Stage #1: CYANAMID With potassium hydroxide In water at 20℃; for 0.75h; Stage #2: carbon disulfide In water at 40℃; for 2h; Stage #3: methyl iodide In water at 20℃; Further stages.; | 71% |
| Stage #1: CYANAMID With potassium hydroxide In water at 20℃; for 0.75h; Stage #2: carbon disulfide In water at 40℃; for 2h; Stage #3: methyl iodide In water at 20℃; | 71% |
| Multistep reaction; |
- 10191-61-4
potassium S-methyl N-cyanocarbamodithioate
- 77-78-1
dimethyl sulfate
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
- 10191-61-4
potassium S-methyl N-cyanocarbamodithioate
- 74-88-4
methyl iodide
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
| Conditions | Yield |
|---|---|
| In acetone |
| Conditions | Yield |
|---|---|
| With tetraethylammonium bromide In acetonitrile for 10h; Mechanism; electrolysis from various N-cyanimidodithiocarbonic acid esters with Ag-anode, Pt-cathode and diaphragm; |
- 74-87-3
methylene chloride
- 108-04-3
cyanocarbonimidodithioic acid
- 10191-60-3
dimethyl N-cyanodithioiminocarbonate
| Conditions | Yield |
|---|---|
| In methanol at 60℃; for 1.25h; Yield given; |
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Specification
The CAS register number of Carbonimidodithioicacid, N-cyano-, dimethyl ester is 10191-60-3. It also can be called as S,S-Dimethyl cyanoimidodithiocarbonate and the IUPAC name about this chemical is bis(methylsulfanyl)methylidenecyanamide. The molecular formula about this chemical is C4H6N2S2 and the molecular weight is 146.22. It belongs to the following product categories, such as Pharmaceutical Intermediates; Organic Building Blocks; Others; Sulfur Compounds and so on. This chemical can be used in manufacture gastrointestinal drugs for the major intermediate cimetidine.
Physical properties about Carbonimidodithioicacid, N-cyano-, dimethyl ester are: (1)ACD/LogP: 1.94; (2)ACD/LogD (pH 5.5): 1.94; (3)ACD/LogD (pH 7.4): 1.94; (4)ACD/BCF (pH 5.5): 17.59; (5)ACD/BCF (pH 7.4): 17.59; (6)ACD/KOC (pH 5.5): 271.05; (7)ACD/KOC (pH 7.4): 271.05; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 86.75Å2; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 41.19 cm3; (13)Molar Volume: 125.3 cm3; (14)Polarizability: 16.33x10-24cm3; (15)Surface Tension: 42.3 dyne/cm; (16)Flash Point: 92.6 °C; (17)Enthalpy of Vaporization: 46.62 kJ/mol; (18)Boiling Point: 229.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0691 mmHg at 25°C.
Lime nitrogen reacts with Carbon disulfide can get Dithiocarbamate salts, then through separation can get Carbonimidodithioicacid, N-cyano-, dimethyl ester.
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Uses of Carbonimidodithioicacid, N-cyano-, dimethyl ester: it can be used to produce 1-cyano-3-cyclohexyl-2-methyl-isothiourea with cyclohexylamine. This reaction will need solvent ethanol.
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When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed and it is irritating to to eyes and respiratory system, it is harmful if swallowed and it can causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need keep container tightly closed and keep container in a well-ventilated place. After contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.), in additon, in case of insufficient ventilation, wear suitable respiratory equipment.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C\N=C(/SC)SC
(2)InChI: InChI=1/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3
(3)InChIKey: IULFXBLVJIPESI-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3
(5)Std. InChIKey: IULFXBLVJIPESI-UHFFFAOYSA-N