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| CAS No.: | 16420-13-6 |
|---|---|
| Name: | Dimethylthiocarbamoyl chloride |
| Article Data: | 25 |
| Cas Database | |
| Molecular Structure: | |
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|
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| Formula: | C3H6ClNS |
| Molecular Weight: | 123.606 |
| Synonyms: | N,N-Dimethylchlorothiocarbamate;N,N-Dimethylthiocarbamic acid chloride;N,N-Dimethylthiocarbamoyl chloride;N,N-Dimethylthiocarbamyl chloride;N,N'-Dimethylchlorothioformamide;Carbamothioicchloride, dimethyl- (9CI);Carbamoyl chloride, dimethylthio- (7CI,8CI);Carbamyl chloride, dimethylthio- (6CI);1-Chloro-N,N-dimethylthioformamide; |
| EINECS: | 240-468-5 |
| Density: | 1.216 g/cm3 |
| Melting Point: | 39-43 °C(lit.) |
| Boiling Point: | 287.415 °C at 760 mmHg |
| Flash Point: | 127.624 °C |
| Solubility: | reacts |
| Appearance: | slightly yellow to yellow low melting crystalline |
| Hazard Symbols: |
 C
|
| Risk Codes: | 22-34-29-14 |
| Safety: | 26-36/37/39-45-8-30-22-27 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 35.33000 |
| LogP: | 1.07170 |
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Thiram
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In dichloromethane for 0.25h; Ambient temperature; | 97% |
| With sulfuryl dichloride In tetrachloromethane 1) room temp., 10 min; 2) reflux, 20 min; | 94% |
| With thionyl chloride In tetrachloromethane at 20℃; for 0.5h; | 92% |
| Conditions | Yield |
|---|---|
| With sulfuryl dichloride In benzene at 50℃; for 6h; | A 83.2% B 3.1% |
| With sulfuryl dichloride In benzene at 60℃; for 4h; | A 83.2% B 4.8% |
- 24744-59-0
3,5-dibromo-4-hydroxyphenylacetic acid ethyl ester
B
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
| Conditions | Yield |
|---|---|
| A 62% B n/a |
- 97-91-6
μ-tetrasulfido-1,2-dithio-dicarbonic acid bis-dimethylamide
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
| Conditions | Yield |
|---|---|
| With tetrachloromethane; chlorine | |
| With tetrachloromethane; chlorine |
- 97-74-5
bis(dimethylthiocarbamoyl)sulfide
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
| Conditions | Yield |
|---|---|
| With tetrachloromethane; chlorine | |
| With tetrachloromethane; chlorine |
- 758-16-7
N,N-dimethylthioformamide
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
| Conditions | Yield |
|---|---|
| With pyridine; disulfur dichloride In dichloromethane | |
| With chlorine In tetrachloromethane |
- 33842-02-3, 529510-96-1
dichloromethylenedimethyliminium chloride
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
| Conditions | Yield |
|---|---|
| With LiAlHSH at 0℃; for 1.5h; |
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
- 33842-02-3, 529510-96-1
dichloromethylenedimethyliminium chloride
| Conditions | Yield |
|---|---|
| With chlorine under 750.06 Torr; for 10h; Ambient temperature; | 100% |
| With phosphorus pentachloride In tetrachloromethane for 1h; Heating; | 90% |
- 17881-95-7
3-(trimethylsilyl)phenol
- 16420-13-6
N,N-Dimethylthiocarbamoyl chloride
- 497180-94-6
O-(3-trimethylsilylphenyl)-N,N-dimethylaminothiocarbamate
| Conditions | Yield |
|---|---|
| With sodium hydride In N,N-dimethyl-formamide at 85℃; | 100% |
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Specification
The Dimethylthiocarbamoyl chloride, with the CAS registry number 16420-13-6, is also known as Carbamothioic chloride, N,N-dimethyl-. It belongs to the product categories of Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry; Organic Building Blocks; Sulfur Compounds; Thiocarbonyl Compounds. Its EINECS registry number is 240-468-5. This chemical's molecular formula is C3H6ClNS and molecular weight is 123.60. What's more, its IUPAC name is called N,N-Dimethylcarbamothioyl chloride.
Physical properties about Dimethylthiocarbamoyl chloride are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.43; (6)ACD/BCF (pH 7.4): 2.43; (7)ACD/KOC (pH 5.5): 65.75; (8)ACD/KOC (pH 7.4): 65.75; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.33 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 31.807 cm3; (15)Molar Volume: 101.682 cm3; (16)Polarizability: 12.609×10-24cm3; (17)Surface Tension: 44.202 dyne/cm; (18)Density: 1.216 g/cm3; (19)Flash Point: 127.624 °C; (20)Enthalpy of Vaporization: 52.659 kJ/mol; (21)Boiling Point: 287.415 °C at 760 mmHg; (22)Vapour Pressure: 0.00200 mmHg at 25 °C.
Preparation of Dimethylthiocarbamoyl chloride: this chemical can be prepared by m-disulfido-1,2-dithio-dicarbonic acid bis-dimethylamide. This reaction needs reagent sulfuryl chloride and solvent CH2Cl2 at ambient temperature. The reaction time is 15 min. The yield is 97 %.
Uses of Dimethylthiocarbamoyl chloride: (1) it is used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with ethynylbenzene to get Phenylpropinsaeure-N,N-dimethylthioamid. The reaction occurs with reagents Et3N, CuI, PPh3 at ambient temperature. The yield is 90 %.
When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contacting. In addition, This chemical is highly flammable and it may catch fire in contact with air and only need briefly contact with an ignition source. So it may cause burns. What's more, it reacts violently with water. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=S)N(C)C
(2) InChI: InChI=1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3
(3) InChIKey: PHWISQNXPLXQRU-UHFFFAOYSA-N