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1,3-Benzothiazole-2-sulfonyl chloride

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Name

1,3-Benzothiazole-2-sulfonyl chloride

EINECS N/A
CAS No. 2824-46-6 Density 1.635 g/cm3
PSA 83.65000 LogP 3.30460
Solubility N/A Melting Point 140.8℃
Formula C7H4ClNO2S2 Boiling Point 398.39 °C at 760 mmHg
Molecular Weight 233.699 Flash Point 194.74 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  C:Corrosive;
Molecular Structure Molecular Structure of 2824-46-6 (1,3-BENZOTHIAZOLE-2-SULFONYL CHLORIDE,97%) Hazard Symbols R34:Causes burns.;
Synonyms

1,3-BENZOTHIAZOLE-2-SULFONYL CHLORIDE,97%;1,3-Benzothiazole-2-sulfonyl chloride

Article Data 15

1,3-Benzothiazole-2-sulfonyl chloride Synthetic route

149-30-4

2-Mercaptobenzothiazole

2824-46-6

benzothiazole-2-sulfonyl chloride

Conditions
ConditionsYield
With chlorine; acetic acid97%
With hydrogenchloride; chlorine71%
With hydrogenchloride; sodium hypochlorite In dichloromethane; water at -10 - -5℃;66%
149-30-4

2-thioxo-3H-1,3-benzothiazole

2824-46-6

benzothiazole-2-sulfonyl chloride

Conditions
ConditionsYield
With chlorine; acetic acid
2492-26-4

sodium 2-mercaptobenzothiazole

2824-46-6

benzothiazole-2-sulfonyl chloride

Conditions
ConditionsYield
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;
2824-46-6

benzothiazole-2-sulfonyl chloride

(R)-2-amino-3-(3-chloro-4-hydroxyphenyl)propionic acid methyl ester hydrochloride

1014985-70-6

C24H18ClN3O7S4

Conditions
ConditionsYield
With pyridine; triethylamine In dichloromethane at 20℃; for 16h;100%
2824-46-6

benzothiazole-2-sulfonyl chloride

875-74-1

(R)-phenylglycine

184222-92-2

(R)-(Benzothiazole-2-sulfonylamino)-phenyl-acetic acid

Conditions
ConditionsYield
With sodium hydroxide at 10℃; for 10h;97%
947768-33-4

C29H38F3N5O4

2824-46-6

benzothiazole-2-sulfonyl chloride

947768-89-0

C36H41F3N6O6S2

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;95%
2824-46-6

benzothiazole-2-sulfonyl chloride

ethyl N-(2-aminoethyl)glycinate dihydrochloride

620628-51-5

N-[2-(benzothiazole-2-sulfonylamino)ethyl]glycine ethyl ester

Conditions
ConditionsYield
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%
2824-46-6

benzothiazole-2-sulfonyl chloride

184222-96-6

(S)-2-(Benzothiazole-2-sulfonylamino)-3-methyl-butyric acid

Conditions
ConditionsYield
With sodium hydroxide at 10℃; for 10h; pH=10 - 10.5; Substitution;91%
2824-46-6

benzothiazole-2-sulfonyl chloride

100-46-9

benzylamine

2655-38-1

N-benzylbenzo[d]thiazole-2-sulfonamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere;90%
2824-46-6

benzothiazole-2-sulfonyl chloride

5609-49-4

L-Tryptophyl-L-methionyl-L-aspartyl-L-phenylalanine amide hydrochloride

(S)-3-{(S)-2-[(S)-2-(Benzothiazole-2-sulfonylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-((S)-1-carbamoyl-2-phenyl-ethyl)-succinamic acid

Conditions
ConditionsYield
With sodium hydroxide90%

1,3-Benzothiazole-2-sulfonyl chloride Specification

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

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