4-(4-ISOCYANATOPHENYL)-2-METHYL-1,3-THIAZOLE

The Thiazole,4-(4-isocyanatophenyl)-2-methyl-, with the CAS registry number 857283-94-4, is also known as 4-(2-Methyl-1,3-thiazol-4-yl)phenyl isocyanate. This chemical's molecular formula is C₁₁H₈N₂OS and molecular weight is 216.26. What's more, its systematic name is called 4-(4-Isocyanatophenyl)-2-methyl-1,3-thiazole.

Physical properties about Thiazole,4-(4-isocyanatophenyl)-2-methyl- are: (1) ACD/LogP: 3.59; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 70.56 Å²; (7) Index of Refraction: 1.645; (8) Molar Refractivity: 62.72 cm³; (9)Molar Volume: 172.9 cm³; (10) Surface Tension: 48.5 dyne/cm; (11) Density: 1.25 g/cm³; (12) Flash Point: 163.7 °C; (13) Enthalpy of Vaporization: 59.13 kJ/mol; (14) Boiling Point: 347 °C at 760 mmHg; (15) Vapour Pressure: 5.53E-05 mmHg at 25 °C; (16) Melting Point: 80-81.5 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. In addition, it may cause sensitisation by inhalation. The gas of this chemical can not be breathed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C=N\c2ccc(c1nc(sc1)C)cc2
(2) InChI: InChI=1/C11H8N2OS/c1-8-13-11(6-15-8)9-2-4-10(5-3-9)12-7-14/h2-6H,1H3
(3) InChIKey: FTGJJMLYVNMJHU-UHFFFAOYAM