Products Categories
CAS No.: | 288071-87-4 |
---|---|
Name: | 4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C14H6Br2N2S3 |
Molecular Weight: | 458.221 |
Synonyms: | K0094; 4,7-Bis(5-bromothiophen-2-yl)benzo[c][1,2,5]thiadiazole |
Density: | 1.898 g/cm3 |
Melting Point: | 245.0 to 249.0 °C |
Boiling Point: | 527.304 °C at 760 mmHg |
Flash Point: | 272.704 °C |
Hazard Symbols: | T |
Risk Codes: | 25-41 |
Safety: | 26-39-45 |
PSA: | 110.50000 |
LogP: | 6.67330 |
What can I do for you?
Get Best Price
The 4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole, with the CAS registry number 288071-87-4, has the molecular formula C14H6Br2N2S3, besides, its molecular weight is 458.21. Its systematic name is called 4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole.
Physical properties of 4,7-Bis(2-bromo-5-thienyl)-2,1,3-benzothiadiazole: (1)ACD/LogP: 6.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 53136; (6)ACD/BCF (pH 7.4): 53136; (7)ACD/KOC (pH 5.5): 83949; (8)ACD/KOC (pH 7.4): 83949; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.767; (13)Molar Refractivity: 99.995 cm3; (14)Molar Volume: 241.374 cm3; (15)Surface Tension: 69.364 dyne/cm; (16)Density: 1.898 g/cm3; (17)Flash Point: 272.704 °C; (18)Enthalpy of Vaporization: 77.169 kJ/mol; (19)Boiling Point: 527.304 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(s1)c2ccc(c3nsnc23)c4ccc(Br)s4
(2)InChI: InChI=1/C14H6Br2N2S3/c15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14/h1-6H
(3)InChIKey: ZIIMIGRZSUYQGW-UHFFFAOYAK