Benzenesulfonothioic acid, sodium salt (1:1)
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Benzenesulfonothioic acid, sodium salt (1:1)
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CAS No:
1887-29-2
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Formula:
C6H6O2S2.Na
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Chemical Name:
Benzenesulfonothioic acid, sodium salt (1:1)
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Synonyms:
Benzenesulfonothioic acid,sodium salt (1:1);Benzenesulfonic acid,thio-,sodium salt;Benzenesulfonothioic acid,sodium salt;Benzenesulfonic acid,thio-,S-sodium salt;Sodium benzenethiosulfonate;Sodium benzenethiosulphonate;Sodium phenylthiosulfonate;Benzenethiosulfonic acid sodium salt;Sodium benezenesulfonothioate;Sodium,(benzenesulfonothioato-κS)-;2376448-12-1
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CAS No:
Benzenesulfonothioic acid, sodium salt (1:1) Basic Attributes
196.22
195.962860
217-558-8
2930909090
Characteristics
80.6
2.43850
305-306 °C @ Solvent: Ethanol
335.4ºC at 760mmHg
156.7ºC
1.655
4.72E-05mmHg at 25°C
Benzenesulfonothioic acid, sodium salt (1:1) Use and Manufacturing
The preparation method is to synthesize sodium thiobenzene sulfonate by reacting benzenesulfonyl chloride with sodium sulfide. Add a certain amount of water and 60% sodium sulfide crushed into small particles into the enamel reaction kettle, then add toluene, drip 98% benzenesulfonic acid chloride in 2h at 30~40℃, and then at 50~40℃. Incubate at 55°C for 2 hours, at 70°C for 1 hour, and concentrate to dryness under reduced pressure to obtain a mixture of sodium thiobenzene sulfonate and sodium chloride. The content of sodium thiobenzene sulfonate is 64.8%. The raw material sodium sulfide in this reaction can also be replaced by sodium hydrosulfide. In addition, sodium benzenesulfinate can also be used to react with sulfur to prepare sodium thiobenzenesulfonate.
Sodium thiobenzenesulfonate is a pesticide intermediate, which is mainly used to synthesize insecticidal sulfonate.
Computed Properties
Molecular Weight:174.2
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:173.98092178
Monoisotopic Mass:173.98092178
Topological Polar Surface Area:77.8
Heavy Atom Count:10
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzenesulfonothioic acid, sodium salt (1:1)
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