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Name |
5-Thiazolecarbonitrile,2-bromo- |
EINECS | N/A |
CAS No. | 440100-94-7 | Density | 1.97 g/cm3 |
PSA | 64.92000 | LogP | 1.77728 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4HBrN2S | Boiling Point | 276.1 °C at 760 mmHg |
Molecular Weight | 189.035 | Flash Point | 120.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Bromo-1,3-thiazole-5-carbonitrile;2-Bromothiazole-5-carbonitrile; |
Article Data | 7 |
The 5-Thiazolecarbonitrile, 2-bromo-, with the CAS registry number of 440100-94-7, is also known as 2-Bromo-5-cyanothiazole. This chemical's molecular formula is C4HBrN2S and molecular weight is 189.0331. What's more, its systematic name is called 2-Bromo-1, 3-thiazole-5-carbonitrile.
Physical properties about 5-Thiazolecarbonitrile, 2-bromo- are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.41; (6)ACD/BCF (pH 7.4): 6.41; (7)ACD/KOC (pH 5.5): 131.59; (8)ACD/KOC (pH 7.4): 131.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 64.92 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 34.98 cm3; (15)Molar Volume: 95.8 cm3; (16)Surface Tension: 77.6 dyne/cm; (17)Density: 1.97 g/cm3; (18)Flash Point: 120.8 °C; (19)Enthalpy of Vaporization: 51.46 kJ/mol; (20)Boiling Point: 276.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0049 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cnc(Br)s1
(2) InChI: InChI=1/C4HBrN2S/c5-4-7-2-3(1-6)8-4/h2H
(3) InChIKey: RCVDPJMWWCIVJV-UHFFFAOYAJ