Dimethylthiocarbamoyl chloride
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Dimethylthiocarbamoyl chloride
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CAS No:
16420-13-6
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Formula:
C3H6ClNS
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Chemical Name:
Dimethylthiocarbamoyl chloride
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Synonyms:
Carbamothioic chloride,N,N-dimethyl-;Carbamoyl chloride,dimethylthio-;Carbamothioic chloride,dimethyl-;Carbamyl chloride,dimethylthio-;N,N-Dimethylcarbamothioic chloride;Dimethylthiocarbamoyl chloride;N,N-Dimethylthiocarbamoyl chloride;N,N-Dimethylthiocarbamyl chloride;Dimethylcarbamothioyl chloride;1-Chloro-N,N-dimethylthioformamide;N,N-Dimethylthiocarbamic acid chloride;N,N′-Dimethylchlorothioformamide;N,N-Dimethylchlorothiocarbamate;Dimethylcarbamothioic chloride;N,N-Dimethylcarbamothioyl chloride;(Chloromethanethioyl)dimethylamine;42326-60-3
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CAS No:
Characteristics
35.3
0.85
Slightly yellow to yellow Low Melting Crystalline Solid or Crystals
1.204 (estimate)
42.5 °C
102 °C @ Press: 12 Torr
209 °F
1.6100 (estimate)
Solubility in water: reaction.;soluble in chloroform and tetrahydrofuran.
2-8°C
0.00249mmHg at 25°C
Safety Information
III
8
UN 3261 8/PG 2
2
22-34-29-14
26-36/37/39-45-8-30-22-27
C
Corrosive
P280-P305 + P351 + P338-P310
H302-H314-H317
|Danger|H290 (13.46%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P390, P404, P405, and P501|Aggregated GHS information provided by 52 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Dimethylthiocarbamoyl chloride Use and Manufacturing
It is derived from the reaction of tetramethylthiuram disulfide and chlorine in carbon tetrachloride. First, carbon tetrachloride is used to absorb chlorine at low temperature to prepare a chlorine carbon tetrachloride solution for use. Then, tetramethylthiuram disulfide and carbon tetrachloride are stirred into a suspension, and heated to reflux on a water bath. The above chlorine carbon tetrachloride solution was quickly added. After the addition, most of the carbon tetrachloride is evaporated, and the precipitated sulfur is filtered after cooling. The filtrate was further concentrated, and then subjected to vacuum distillation to collect the 65-68°C (26.7Pa) fraction, which is the finished product, with a yield of 80%.
Used as pharmaceutical intermediate
Carbamothioic chloride, N,N-dimethyl-: ACTIVE
Computed Properties
Molecular Weight:123.61
XLogP3:1.4
Hydrogen Bond Acceptor Count:1
Exact Mass:122.9909481
Monoisotopic Mass:122.9909481
Topological Polar Surface Area:35.3
Heavy Atom Count:6
Complexity:61.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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