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Basic Information
CAS No.: 175205-65-9
Name: 3-(2-THIENYL)ISOXAZOLE
Molecular Structure:
Molecular Structure of 175205-65-9 (3-(2-THIENYL)ISOXAZOLE)
Formula: C7H5NOS
Molecular Weight: 151.19
Synonyms: 3-(2-THIENYL)ISOXAZOLE;3-(THIOPHEN-2-YL)ISOXAZOLE;Isoxazole, 3-(2-thienyl)- (9CI);3-(THIEN-2-YL)ISOXAZOLE
Density: 1.257 g/cm3
Boiling Point: 280.3 °C at 760 mmHg
Flash Point: 123.3 °C
PSA: 54.27000
LogP: 2.40310
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Specification

The Isoxazole,3-(2-thienyl)- is an organic compound with the formula C7H5NOS. The systematic name of this chemical is 3-thiophen-2-ylisoxazole. With the CAS registry number 175205-65-9, it is also named as 3-(Thien-2-yl)isoxazole. The product's category is Oxazole.

Physical properties about Isoxazole,3-(2-thienyl)- are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 7.94; (5)ACD/BCF (pH 7.4): 7.94; (6)ACD/KOC (pH 5.5): 153.39; (7)ACD/KOC (pH 7.4): 153.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.27 Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 39.61 cm3; (13)Molar Volume: 120.2 cm3; (14)Polarizability: 15.7×10-24cm3; (15)Surface Tension: 45.3 dyne/cm; (16)Density: 1.257 g/cm3; (17)Flash Point: 123.3 °C; (18)Enthalpy of Vaporization: 49.82 kJ/mol; (19)Boiling Point: 280.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00648 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1onc(c1)c2cccs2
(2)InChI: InChI=1/C7H5NOS/c1-2-7(10-5-1)6-3-4-9-8-6/h1-5H
(3)InChIKey: IWMABJZZIWFKGH-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H5NOS/c1-2-7(10-5-1)6-3-4-9-8-6/h1-5H
(5)Std. InChIKey: IWMABJZZIWFKGH-UHFFFAOYSA-N