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154127-28-3

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Basic Information
CAS No.: 154127-28-3
Name: 3-Bromoacetyl-2-thiophenesulfonamide
Article Data: 3
Molecular Structure:
Molecular Structure of 154127-28-3 (3-Bromoacetyl-2-thiophenesulfonamide)
Formula: C6H6BrNO3S2
Molecular Weight: 284.15
Synonyms: 2-thiophenesulfonamide, 3-(2-bromoacetyl)-; 3-(Bromoacetyl)thiophene-2-sulfonamide
Density: 1.862 g/cm3
Boiling Point: 454.1 °C at 760 mmHg
Flash Point: 228.4 °C
PSA: 113.85000
LogP: 2.75420
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Specification

The 3-(2-Bromo-acetyl)-thiophene-2-sulfonamide with CAS registry number of 154127-28-3 is also named 3-(Bromoacetyl)thiophene-2-sulfonamide. In addition, the formula is C6H6BrNO3S2 and the molecular weight is 284.15.

Physical properties about 3-(2-Bromo-acetyl)-thiophene-2-sulfonamide are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.19; (8)ACD/KOC (pH 7.4): 25.94; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 113.85Å2; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 54.43 cm3; (15)Molar Volume: 152.5 cm3; (16)Polarizability: 21.57×10-24cm3; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.862 g/cm3; (19)Flash Point: 228.4 °C; (20)Enthalpy of Vaporization: 71.36 kJ/mol ; (21)Boiling Point: 454.1 °C at 760 mmHg; (22)Vapour Pressure: 1.96×E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: c1csc(c1C(=O)CBr)S(=O)(=O)N
2. InChI: InChI=1/C6H6BrNO3S2/c7-3-5(9)4-1-2-12-6(4)13(8,10)11/h1-2H,3H2,(H2,8,10,11)
3. InChIKey: WUVKKDOGXCDAAM-UHFFFAOYAR
4. Std. InChI: InChI=1S/C6H6BrNO3S2/c7-3-5(9)4-1-2-12-6(4)13(8,10)11/h1-2H,3H2,(H2,8,10,11)
5. Std. InChIKey: WUVKKDOGXCDAAM-UHFFFAOYSA-N