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CAS No.: | 73040-60-5 |
---|---|
Name: | NSC 176404 |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C9H7BrN2S |
Molecular Weight: | 255.138 |
Synonyms: | NSC 176404 |
Density: | 1.636 g/cm3 |
Melting Point: | 205-206 oC |
Boiling Point: | 410.9 °C at 760 mmHg |
Flash Point: | 202.3 °C |
PSA: | 67.88000 |
LogP: | 3.08490 |
This chemical is called 5-(4-Bromophenyl)thiazol-2-amine, and it can also be named as NSC 176404. With the molecular formula of C9H7BrN2S, its molecular weight is 255.13. The CAS registry number of this chemical is 73040-60-5.
Other characteristics of the 5-(4-Bromophenyl)thiazol-2-amine can be summarised as followings: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 44.37 Å2; (7)Index of Refraction: 1.684; (8)Molar Refractivity: 59.24 cm3; (9)Molar Volume: 155.8 cm3; (10)Polarizability: 23.48×10-24cm3; (11)Surface Tension: 60.2 dyne/cm; (12)Density: 1.636 g/cm3; (13)Flash Point: 202.3 °C; (14)Enthalpy of Vaporization: 66.33 kJ/mol; (15)Boiling Point: 410.9 °C at 760 mmHg; (16)Vapour Pressure: 5.8E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2ccc(c1sc(nc1)N)cc2
2.InChI: InChI=1/C9H7BrN2S/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-5H,(H2,11,12)
3.InChIKey: FZXHXJYHJOHEIV-UHFFFAOYAV
4.Std. InChI: InChI=1S/C9H7BrN2S/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-5H,(H2,11,12)
5.Std. InChIKey: FZXHXJYHJOHEIV-UHFFFAOYSA-N