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CAS No.: | 2824-46-6 |
---|---|
Name: | 1,3-BENZOTHIAZOLE-2-SULFONYL CHLORIDE,97% |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H4ClNO2S2 |
Molecular Weight: | 233.699 |
Synonyms: | 1,3-BENZOTHIAZOLE-2-SULFONYL CHLORIDE,97%;1,3-Benzothiazole-2-sulfonyl chloride |
Density: | 1.635 g/cm3 |
Melting Point: | 140.8℃ |
Boiling Point: | 398.39 °C at 760 mmHg |
Flash Point: | 194.74 °C |
Hazard Symbols: | R34:Causes burns.; |
Risk Codes: | C:Corrosive; "> C:Corrosive; |
PSA: | 83.65000 |
LogP: | 3.30460 |
Conditions | Yield |
---|---|
With chlorine; acetic acid | 97% |
With hydrogenchloride; chlorine | 71% |
With hydrogenchloride; sodium hypochlorite In dichloromethane; water at -10 - -5℃; | 66% |
Conditions | Yield |
---|---|
With chlorine; acetic acid |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hypochlorite solution In dichloromethane; water at -10 - -5℃; for 0.333333h; | |
With hydrogenchloride; sodium hypochlorite In dichloromethane; water at -10 - -5℃; for 0.333333h; |
benzothiazole-2-sulfonyl chloride
C24H18ClN3O7S4
Conditions | Yield |
---|---|
With pyridine; triethylamine In dichloromethane at 20℃; for 16h; | 100% |
benzothiazole-2-sulfonyl chloride
(R)-phenylglycine
(R)-(Benzothiazole-2-sulfonylamino)-phenyl-acetic acid
Conditions | Yield |
---|---|
With sodium hydroxide at 10℃; for 10h; | 97% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | 95% |
benzothiazole-2-sulfonyl chloride
N-[2-(benzothiazole-2-sulfonylamino)ethyl]glycine ethyl ester
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 2h; | 92% |
With triethylamine In dichloromethane at 20℃; for 2.08333h; | 92% |
With triethylamine In dichloromethane at 20℃; for 2.08333h; | 92% |
benzothiazole-2-sulfonyl chloride
L-valine hydrochloride
(S)-2-(Benzothiazole-2-sulfonylamino)-3-methyl-butyric acid
Conditions | Yield |
---|---|
With sodium hydroxide at 10℃; for 10h; pH=10 - 10.5; Substitution; | 91% |
benzothiazole-2-sulfonyl chloride
benzylamine
N-benzylbenzo[d]thiazole-2-sulfonamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere; | 90% |
benzothiazole-2-sulfonyl chloride
L-Tryptophyl-L-methionyl-L-aspartyl-L-phenylalanine amide hydrochloride
Conditions | Yield |
---|---|
With sodium hydroxide | 90% |
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The 2-Benzothiazolesulfonyl chloride has the CAS registry number 2824-46-6. This chemical's molecular formula is C7H4ClNO2S2 and molecular weight is 233.70. What's more, its systematic name is 1,3-benzothiazole-2-sulfonyl chloride.
Physical properties of 2-Benzothiazolesulfonyl chloride are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 83.65 Å2; (7)Index of Refraction: 1.678; (8)Molar Refractivity: 53.898 cm3; (9)Molar Volume: 142.908 cm3; (10)Polarizability: 21.367×10-24cm3; (11)Surface Tension: 66.118 dyne/cm; (12)Density: 1.635 g/cm3; (13)Flash Point: 194.74 °C; (14)Enthalpy of Vaporization: 62.366 kJ/mol; (15)Boiling Point: 398.39 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1nc2ccccc2s1
(2)Std. InChI: InChI=1S/C7H4ClNO2S2/c8-13(10,11)7-9-5-3-1-2-4-6(5)12-7/h1-4H
(3)Std. InChIKey: HSILAFDVJZUQPI-UHFFFAOYSA-N