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

Name
5-Bromo-N-tert-butyl-2-thiophenesulfonamide
EINECS 214-402-0
CAS No. 286932-39-6
Article Data2
CAS DataBase
Density 1.527g/cm³
Solubility
Melting Point 62℃
Formula C₈H₁₂BrNO₂S₂
Boiling Point 366.1 °C at 760 mmHg
Molecular Weight 298.225
Flash Point 175.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Bromo-N-tert-butyl-2-thiophenesulfonamide;5-Bromothiophene-2-sulfonic acid tert-butylamide;
PSA 82.79000
LogP 4.05910

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

Product Name

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

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

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