Name: 5-Phenylthiazol-2-amine
SKU: 39136-63-5

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Basic Information

Molecular Structure:
CAS No.:	39136-63-5
Name:	5-Phenylthiazol-2-amine
Article Data:	19

Formula:	C₉H₈N₂S
Molecular Weight:	176.242
Synonyms:	2-Thiazolamine, 5-phenyl-;
EINECS:	254-312-9
Density:	1.261 g/cm³
Melting Point:	256-257℃
Boiling Point:	363.4 °C at 760 mmHg
Flash Point:	173.6 °C
PSA:	67.15000
LogP:	2.97350

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Specification

The CAS registry number of 5-Phenylthiazol-2-amine is 39136-63-5. This chemical is also known as 2-Thiazolamine, 5-phenyl-. The EINECS registry number of this chemical is 254-312-9. Its molecular formula is C₉H₈N₂S and molecular weight is 176.2382. Its systematic name and IUPAC name are the same which is called 5-phenyl-1,3-thiazol-2-amine.

Physical properties about this chemical are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 17.74; (6)ACD/BCF (pH 7.4): 24.67; (7)ACD/KOC (pH 5.5): 247.85; (8)ACD/KOC (pH 7.4): 344.8; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.659; (13)Molar Refractivity: 51.55 cm³; (14)Molar Volume: 139.7 cm³; (15)Surface Tension: 56.9 dyne/cm; (16)Density: 1.261 g/cm³; (17)Flash Point: 173.6 °C; (18)Enthalpy of Vaporization: 60.95 kJ/mol; (19)Boiling Point: 363.4 °C at 760 mmHg.

Preparation: this chemical can be prepared by thiourea and (1-bromo-2,2-dimethoxy-ethyl)-benzene. This reaction will need reagent aq.HBr. The reaction time is 2 hours with reaction temperature of 100°C. The yield is about89 %.

5-Phenylthiazol-2-amine can be prepared by thiourea and (1-bromo-2,2-dimethoxy-ethyl)-benzene

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc(sc1N)c2ccccc2
(2)InChI: InChI=1/C9H8N2S/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
(3)InChIKey: LSLUWQIENURREM-UHFFFAOYAU