5-Bromothiophene-2-sulfonamide

The IUPAC name of 5-Bromothiophene-2-sulfonamide is 5-bromothiophene-2-sulfonamide. With the CAS registry number 53595-65-6, it is also named as 2-Bromo thiophene-5-sulfonamide. The product's categories are Fluorobenzene; Thiophene & Benzothiophene; Thiophene Intermediates; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks. Besides, it is white to light yellow crystal powder, which should be stored in tightly sealed containers in a cool, dry place. In addition, its molecular formula is C₄H₄BrNO₂S₂ and molecular weight is 242.11.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.08; (6)ACD/BCF (pH 7.4): 4.06; (7)ACD/KOC (pH 5.5): 95.16; (8)ACD/KOC (pH 7.4): 94.74; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 45.05 cm³; (15)Molar Volume: 124 cm³; (16)Polarizability: 17.86×10^-24cm³; (17)Surface Tension: 62.6 dyne/cm; (18)Density: 1.951 g/cm³; (19)Flash Point: 187.5 °C; (20)Melting point: 134-142 °C; (21)Enthalpy of Vaporization: 63.53 kJ/mol; (22)Boiling Point: 386.4 °C at 760 mmHg; (23)Vapour Pressure: 3.56E-06 mmHg at 25 °C.

Uses of 5-Bromothiophene-2-sulfonamide: it can react with 3-chloro-benzenethiol to get 5-(3-chloro-phenylsulfanyl)-thiophene-2-sulfonic acid amide.



This reaction needs aq. NaOH and dimethylformamide by heating for 4 hours. The yield is 77 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=C(SC(=C1)Br)S(=O)(=O)N
(2)InChI: InChI=1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
(3)InChIKey: WXJQQLDICAOBJB-UHFFFAOYSA-N