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857969-56-3

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Basic Information
CAS No.: 857969-56-3
Name: 5-Thiazolol, 2-amino-
Molecular Structure:
Molecular Structure of 857969-56-3 (5-Thiazolol,  2-amino-)
Formula: C3H4N2OS
Molecular Weight: 116.1417
Synonyms: 5-Thiazolol, 2-amino-
Density: 1.594 g/cm3
Boiling Point: 329.7 °C at 760 mmHg
Flash Point: 153.2 °C
PSA: 88.11000
LogP: 0.36100
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Specification

The 5-Thiazolol, 2-amino- is an organic compound with the formula C3H4N2OS. The systematic name of this chemical is 2-amino-1,3-thiazol-4-ol. With the CAS registry number 857969-56-3, it is also named as 4-thiazolol, 2-amino-.

Physical properties about 5-Thiazolol, 2-amino- are: (1)ACD/LogP: -0.36; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 53.6 Å2; (10)Index of Refraction: 1.722; (11)Molar Refractivity: 28.84 cm3; (12)Molar Volume: 72.8 cm3; (13)Polarizability: 11.43×10-24cm3; (14)Surface Tension: 91.7 dyne/cm; (15)Density: 1.594 g/cm3; (16)Flash Point: 153.2 °C; (17)Enthalpy of Vaporization: 59.5 kJ/mol; (18)Boiling Point: 329.7 °C at 760 mmHg; (19)Vapour Pressure: 9.08E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1nc(sc1)N
(2)InChI: InChI=1/C3H4N2OS/c4-3-5-2(6)1-7-3/h1,6H,(H2,4,5)
(3)InChIKey: BGIZWGFKUMPOAV-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C3H4N2OS/c4-3-5-2(6)1-7-3/h1,6H,(H2,4,5)
(5)Std. InChIKey: BGIZWGFKUMPOAV-UHFFFAOYSA-N