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5-Bromo-N-tert-butyl-2-thiophenesulfonamide

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Name

5-Bromo-N-tert-butyl-2-thiophenesulfonamide

EINECS 214-402-0
CAS No. 286932-39-6 Density 1.527g/cm3
PSA 82.79000 LogP 4.05910
Solubility N/A Melting Point 62℃
Formula C8H12BrNO2S2 Boiling Point 366.1 °C at 760 mmHg
Molecular Weight 298.225 Flash Point 175.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 286932-39-6 (5-Bromo-N-tert-butyl-2-thiophenesulfonamide) Hazard Symbols IrritantXi
Synonyms

5-Bromo-N-tert-butyl-2-thiophenesulfonamide;5-Bromothiophene-2-sulfonic acid tert-butylamide;

Article Data 2

5-Bromo-N-tert-butyl-2-thiophenesulfonamide Specification

The 5-Bromo-N-tert-butyl-2-thiophenesulfonamide, with CAS registry number 286932-39-6, belongs to the following product category: Thiophene intermediates. It has the systematic name of 5-bromo-N-tert-butylthiophene-2-sulfonamide. And the chemical formula of this chemical is C8H12BrNO2S2.

Physical properties of 5-Bromo-N-tert-butyl-2-thiophenesulfonamide: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 133.51; (6)ACD/BCF (pH 7.4): 133.5; (7)ACD/KOC (pH 5.5): 1156.22; (8)ACD/KOC (pH 7.4): 1156.14; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 63.6 cm3; (15)Molar Volume: 195.2 cm3; (16)Polarizability: 25.21×10-24cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Enthalpy of Vaporization: 61.24 kJ/mol; (19)Vapour Pressure: 1.5E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1sc(Br)cc1)NC(C)(C)C
(2)InChI: InChI=1/C8H12BrNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3
(3)InChIKey: KWUYZYHIQKPORJ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H12BrNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3
(5)Std. InChIKey: KWUYZYHIQKPORJ-UHFFFAOYSA-N

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