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CAS No.: | 108306-63-4 |
---|---|
Name: | 2-BROMO-5-IODOTHIAZOLE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C3HBrINS |
Molecular Weight: | 289.922 |
Synonyms: | 2-Bromo-5-iodothiazole; |
Density: | 2.626 g/cm3 |
Boiling Point: | 270.59 °C at 760 mmHg |
Flash Point: | 117.449 °C |
PSA: | 41.13000 |
LogP: | 2.51020 |
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This chemical is called Thiazole,2-bromo-5-iodo-, and its systematic name is 2-Bromo-5-iodo-thiazole. With the molecular formula of C3HBrINS, its molecular weight is 289.92. The CAS registry number of the chemical is 108306-63-4.
Other characteristics of Thiazole,2-bromo-5-iodo- can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.925; (4)ACD/LogD (pH 7.4): 2.925; (5)ACD/BCF (pH 5.5): 98.483; (6)ACD/BCF (pH 7.4): 98.483; (7)ACD/KOC (pH 5.5): 929.946; (8)ACD/KOC (pH 7.4): 929.946; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 43.325 cm3; (15)Molar Volume: 110.394 cm3; (16)Polarizability: 17.176×10-24cm3; (17)Surface Tension: 62.734 dyne/cm; (18)Density: 2.626 g/cm3; (19)Flash Point: 117.449 °C; (20)Enthalpy of Vaporization: 48.829 kJ/mol; (21)Boiling Point: 270.59 °C at 760 mmHg; (22)Vapour Pressure: 0.011 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(sc(n1)Br)I
2.InChI: InChI=1/C3HBrINS/c4-3-6-1-2(5)7-3/h1H
3.InChIKey: MWJCQTBRSKINNQ-UHFFFAOYAH
4.Std. InChI: InChI=1S/C3HBrINS/c4-3-6-1-2(5)7-3/h1H
5.Std. InChIKey: MWJCQTBRSKINNQ-UHFFFAOYSA-N