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