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87444-41-5

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Basic Information
CAS No.: 87444-41-5
Name: 6-Bromo-2-methylthiazolo[5,4-b]pyrazine
Article Data: 5
Molecular Structure:
Molecular Structure of 87444-41-5 (6-Bromo-2-methylthiazolo[5,4-b]pyrazine)
Formula: C6H4BrN3S
Molecular Weight: 230.088
Synonyms: 6-Bromo-2-methyl-[1,3]thiazolo[4,5-b]pyrazine;
Density: 1.838 g/cm3
Melting Point: 158 °C
Boiling Point: 292.809 °C at 760 mmHg
Flash Point: 130.886 °C
PSA: 66.91000
LogP: 2.15720
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Specification

The 6-Bromo-2-methylthiazolo[5,4-b]pyrazine is an organic compound with the formula C6H4BrN3S. The IUPAC name of this chemical is 6-bromo-2-methyl-[1,3]thiazolo[4,5-b]pyrazine. With the CAS registry number 87444-41-5, it is also named as thiazolo[4,5-b]pyrazine, 6-bromo-2-methyl-.

Physical properties about 6-Bromo-2-methylthiazolo[5,4-b]pyrazine are: (1)ACD/LogP: 0.90; (2)ACD/LogD (pH 5.5): 0.895; (3)ACD/LogD (pH 7.4): 0.895; (4)ACD/BCF (pH 5.5): 2.82; (5)ACD/BCF (pH 7.4): 2.82; (6)ACD/KOC (pH 5.5): 73.107; (7)ACD/KOC (pH 7.4): 73.107; (8)#H bond acceptors: 3; (9)Polar Surface Area: 66.91 Å2; (10)Index of Refraction: 1.717; (11)Molar Refractivity: 49.269 cm3; (12)Molar Volume: 125.16 cm3; (13)Polarizability: 19.532×10-24cm3; (14)Surface Tension: 72.209 dyne/cm; (15) Density: 1.838 g/cm3; (16)Flash Point: 130.886 °C; (17)Enthalpy of Vaporization: 51.101 kJ/mol; (18)Boiling Point: 292.809 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1nc2c(s1)nc(cn2)Br
(2)InChI: InChI=1/C6H4BrN3S/c1-3-9-5-6(11-3)10-4(7)2-8-5/h2H,1H3
(3)InChIKey: CYGQNATXHJNJTD-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H4BrN3S/c1-3-9-5-6(11-3)10-4(7)2-8-5/h2H,1H3
(5)Std. InChIKey: CYGQNATXHJNJTD-UHFFFAOYSA-N