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CAS No.: | 496057-31-9 |
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Name: | (2-TERT-BUTYL-THIAZOL-4-YL)ACETIC ACID HYDRAZIDE |
Molecular Structure: | |
Formula: | C9H15N3OS |
Molecular Weight: | 213.30 |
Synonyms: | (2-TERT-BUTYL-THIAZOL-4-YL)ACETIC ACID HYDRAZIDE |
Density: | 1.176 g/cm3 |
Melting Point: | 76-79 °C |
Boiling Point: | 405.4 °C at 760 mmHg |
Flash Point: | 199 °C |
PSA: | 96.25000 |
LogP: | 2.06420 |
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This chemical is called 2-(2-tert-Butyl-1,3-thiazol-4-yl)acetohydrazide, and it can also be named as 4-Thiazoleacetic acid, 2-(1,1-dimethylethyl)-, hydrazide. With the molecular formula of C9H15N3OS, its molecular weight is 213.30. The CAS registry number of this chemical is 496057-31-9.
Other characteristics of the 2-(2-tert-Butyl-1,3-thiazol-4-yl)acetohydrazide can be summarised as followings: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.36; (8)ACD/KOC (pH 7.4): 32.6; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.68 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 57.82 cm3; (15)Molar Volume: 181.2 cm3; (16)Polarizability: 22.92×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.176 g/cm3; (19)Flash Point: 199 °C; (20)Enthalpy of Vaporization: 65.7 kJ/mol; (21)Boiling Point: 405.4 °C at 760 mmHg; (22)Vapour Pressure: 8.77E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NN)Cc1nc(sc1)C(C)(C)C
2.InChI: InChI=1/C9H15N3OS/c1-9(2,3)8-11-6(5-14-8)4-7(13)12-10/h5H,4,10H2,1-3H3,(H,12,13)
3.InChIKey: JUBGFJVFYRHCAL-UHFFFAOYAQ