Basic Information | Post buying leads | Suppliers |
Name |
2-Bromo-4-(phenylmethyl)thiazole |
EINECS | N/A |
CAS No. | 73553-79-4 | Density | 1.515 g/cm3 |
PSA | 41.13000 | LogP | 3.49640 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8BrNS | Boiling Point | 323 °C at 760 mmHg |
Molecular Weight | 254.15 | Flash Point | 149.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Benzyl-2-bromothiazole; |
The Thiazole,2-bromo-4-(phenylmethyl)-, with the CAS registry number of 73553-79-4, is also known as 4-Benzyl-2-bromothiazole. Its molecular formula is C10H8BrNS and molecular weight is 254.15. What's more, its systematic name is 4-Benzyl-2-bromo-1,3-thiazole.
Physical properties about the Thiazole,2-bromo-4-(phenylmethyl)- are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 557.76; (6)ACD/BCF (pH 7.4): 557.82; (7)ACD/KOC (pH 5.5): 3217.35; (8)ACD/KOC (pH 7.4): 3217.68; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 59.73 cm3; (15)Molar Volume: 167.7 cm3; (16)Surface Tension: 50 dyne/cm; (17)Density: 1.515 g/cm3; (18)Flash Point: 149.1 °C; (19)Enthalpy of Vaporization: 54.24 kJ/mol; (20)Boiling Point: 323 °C at 760 mmHg; (21)Vapour Pressure: 0.00051 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc2nc(Cc1ccccc1)cs2
(2) InChI: InChI=1/C10H8BrNS/c11-10-12-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2
(3) InChIKey: VYIKIPBSSDODGH-UHFFFAOYAT