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3084-04-6

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Basic Information
CAS No.: 3084-04-6
Name: 4-benzofuran-2-yl-1,3-thiazol-2-amine
Article Data: 9
Molecular Structure:
Molecular Structure of 3084-04-6 (4-benzofuran-2-yl-1,3-thiazol-2-amine)
Formula: C11H8N2OS
Molecular Weight: 216.263
Synonyms: Thiazole,2-amino-4-(2-benzofuranyl)- (6CI,7CI,8CI);2-Amino-4-(benzofuran-2-yl)thiazole;4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine;4-Benzofuran-2-yl-thiazol-2-ylamine;
Density: 1.38 g/cm3
Boiling Point: 427 °C at 760 mmHg
Flash Point: 212 °C
PSA: 81.02000
LogP: 3.06860
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Specification

The 2-Thiazolamine,4-(2-benzofuranyl)-, with the CAS registry number 3084-04-6, has the systematic name and IUPAC name of 4-(1-benzofuran-2-yl)-1,3-thiazol-2-amine. And the molecular formula of the chemical is C11H8N2OS.

The characteristics of 2-Thiazolamine,4-(2-benzofuranyl)- are as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 32.08; (6)ACD/BCF (pH 7.4): 54.19; (7)ACD/KOC (pH 5.5): 358.08; (8)ACD/KOC (pH 7.4): 604.84; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.51 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 61.69 cm3; (15)Molar Volume: 156.6 cm3; (16)Polarizability: 24.45×10-24cm3; (17)Surface Tension: 63.2 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 212 °C; (20)Enthalpy of Vaporization: 68.19 kJ/mol; (21)Boiling Point: 427 °C at 760 mmHg; (22)Vapour Pressure: 1.7E-07 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: o2c1ccccc1cc2c3nc(sc3)N
(2)InChI: InChI=1/C11H8N2OS/c12-11-13-8(6-15-11)10-5-7-3-1-2-4-9(7)14-10/h1-6H,(H2,12,13)
(3)InChIKey: IQIAVCUUQIGJPO-UHFFFAOYAI