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105512-81-0

Basic Information
CAS No.: 105512-81-0
Name: 4-(3-BROMO-PHENYL)-THIAZOL-2-YLAMINE
Article Data: 29
Molecular Structure:
Molecular Structure of 105512-81-0 (4-(3-BROMO-PHENYL)-THIAZOL-2-YLAMINE)
Formula: C9H7BrN2S
Molecular Weight: 255.138
Synonyms: 2-Amino-4-(3-bromophenyl)thiazole;4-(3-Bromophenyl)-2-aminothiazole;4-(3-Bromophenyl)thiazol-2-ylamine;
Density: 1.636
Melting Point: 130-131 °C
Boiling Point: 398.8 °C at 760 mmHg
Flash Point: 195 °C
Hazard Symbols:
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 67.15000
LogP: 3.73600
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    Molecular Formula: C9H7BrN2S Formula Weight: 255.13

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Specification

The 2-Thiazolamine,4-(3-bromophenyl)-, with the CAS registry number 105512-81-0, is also known as 4-(3-Bromophenyl)-2-thiazolamine. This chemical's molecular formula is C9H7BrN2S and molecular weight is 255.13. What's more, its systematic name is 4-(3-Bromophenyl)-1,3-thiazol-2-amine. 

Physical properties of 2-Thiazolamine,4-(3-bromophenyl)- are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 64.41; (6)ACD/BCF (pH 7.4): 80.97; (7)ACD/KOC (pH 5.5): 642.41; (8)ACD/KOC (pH 7.4): 807.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.37 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 59.24 cm3; (15)Molar Volume: 155.8 cm3; (16)Polarizability: 23.48×10-24 cm3; (17)Surface Tension: 60.2 dyne/cm; (18)Density: 1.636 g/cm3; (19)Flash Point: 195 °C; (20)Enthalpy of Vaporization: 64.95 kJ/mol; (21)Boiling Point: 398.8 °C at 760 mmHg; (22)Vapour Pressure: 1.43E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Brc2cc(c1nc(sc1)N)ccc2
(2)InChI: InChI=1/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
(3)InChIKey: PDNKBFMOKUBDDR-UHFFFAOYAO