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2-Thiazolamine,4-(5-bromo-2-thienyl)-

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Name

2-Thiazolamine,4-(5-bromo-2-thienyl)-

EINECS N/A
CAS No. 34801-14-4 Density 1.796 g/cm3
PSA 95.39000 LogP 3.79750
Solubility N/A Melting Point 151℃
Formula C7H5BrN2S2 Boiling Point 392.1 °C at 760 mmHg
Molecular Weight 261.166 Flash Point 191 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 34801-14-4 (4-(5-BROMO-2-THIENYL)-1,3-THIAZOL-2-AMINE) Hazard Symbols N/A
Synonyms

2-(2-Amino-4-thiazolyl)-5-bromothiophene;4-(5-Bromo-2-thienyl)-1,3-thiazol-2-amine;4-(5-Bromo-thiophen-2-yl)-thiazol-2-ylamine;4-(5-Bromo-2-thienyl)-1,3-thiazole-2-ylamine;

Article Data 7

2-Thiazolamine,4-(5-bromo-2-thienyl)- Specification

The 2-Thiazolamine,4-(5-bromo-2-thienyl)-, with the CAS registry number 34801-14-4, is also known as 4-(5-Bromo-2-thienyl)-1,3-thiazole-2-ylamine. This chemical's molecular formula is C7H5BrN2S2 and molecular weight is 261.16. What's more, its systematic name is 4-(5-bromothiophen-2-yl)-1,3-thiazol-2-amine. 

Physical properties of 2-Thiazolamine,4-(5-bromo-2-thienyl)- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 43.27; (6)ACD/BCF (pH 7.4): 65.94; (7)ACD/KOC (pH 5.5): 457; (8)ACD/KOC (pH 7.4): 696.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 72.61 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 57.63 cm3; (15)Molar Volume: 145.3 cm3; (16)Surface Tension: 67.9 dyne/cm; (17)Density: 1.796 g/cm3; (18)Flash Point: 191 °C; (19)Enthalpy of Vaporization: 64.19 kJ/mol; (20)Boiling Point: 392.1 °C at 760 mmHg; (21)Vapour Pressure: 2.34E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-1-(5-bromo-thiophen-2-yl)-ethanone, thiourea by heating. This reaction will need solvent acetone with the reaction time of 30 min. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. 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)SMILES: Brc2sc(c1nc(sc1)N)cc2
(2)InChI: InChI=1S/C7H5BrN2S2/c8-6-2-1-5(12-6)4-3-11-7(9)10-4/h1-3H,(H2,9,10)
(3)InChIKey: MMZHPDCFNLBMBY-UHFFFAOYSA-N

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