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| CAS No.: | 774492-91-0 |
|---|---|
| Name: | 2-Amino-3-bromothiophene |
| Molecular Structure: | |
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| Formula: | C4H4BrNS |
| Molecular Weight: | 178.052 |
| Synonyms: | 2-thiophenamine, 3-bromo-; 3-Bromothiophen-2-amine |
| Density: | 1.828 g/cm3 |
| Boiling Point: | 235.5 °C at 760 mmHg |
| Flash Point: | 96.2 °C |
| PSA: | 54.26000 |
| LogP: | 2.67400 |
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Specification
The 2-Amino-3-bromothiophene is an organic compound with the formula C4H4BrNS. The systematic name of this chemical is 3-bromothiophen-2-amine. With the CAS registry number 774492-91-0, it is also named as 2-thiophenamine, 3-bromo-.
Physical properties about 2-Amino-3-bromothiophene are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.33; (5)ACD/BCF (pH 7.4): 14.33; (6)ACD/KOC (pH 5.5): 233.99; (7)ACD/KOC (pH 7.4): 233.99; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 54.26 Å2; (12)Index of Refraction: 1.674; (13)Molar Refractivity: 36.56 cm3; (14)Molar Volume: 97.3 cm3; (15)Polarizability: 14.49×10-24cm3; (16)Surface Tension: 56.3 dyne/cm; (17)Density: 1.828 g/cm3; (18)Flash Point: 96.2 °C; (19)Enthalpy of Vaporization: 47.22 kJ/mol; (20)Boiling Point: 235.5 °C at 760 mmHg; (21)Vapour Pressure: 0.05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1sccc1Br
(2)InChI: InChI=1/C4H4BrNS/c5-3-1-2-7-4(3)6/h1-2H,6H2
(3)InChIKey: BCNQVNWZDWLQLH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H4BrNS/c5-3-1-2-7-4(3)6/h1-2H,6H2
(5)Std. InChIKey: BCNQVNWZDWLQLH-UHFFFAOYSA-N