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224436-97-9

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Basic Information
CAS No.: 224436-97-9
Name: 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine
Article Data: 11
Molecular Structure:
Molecular Structure of 224436-97-9 (5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine)
Formula: C11H15N3OS2
Molecular Weight: 269.392
Synonyms: 5-((5-tert-Butyloxazol-2-yl)-methylthio)thiazol-2-amine;
Density: 1.297 g/cm3
Boiling Point: 412.051 °C at 760 mmHg
Flash Point: 203.001 °C
PSA: 119.21000
LogP: 3.23320
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Specification

The 2-Thiazolamine, 5-[[[5-(1, 1-dimethylethyl)-2-oxazolyl]methyl]thio]-, with the CAS registry number of 224436-97-9, is also known as 5-((5-tert-Butyloxazol-2-yl)-methylthio)thiazol-2-amine. This chemical's molecular formula is C11H15N3OS2 and molecular weight is 269.3863. What's more, its systematic name is 5-{[(5-tert-Butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. 

Physical properties about 2-Thiazolamine, 5-[[[5-(1, 1-dimethylethyl)-2-oxazolyl]methyl]thio]- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 27; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 365; (8)ACD/KOC (pH 7.4): 379; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 118.48 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 72.466 cm3; (15)Molar Volume: 207.742 cm3; (16)Polarizability: 28.728×10-24 cm3; (17)Surface Tension: 62.38 dyne/cm; (18)Density: 1.297 g/cm3; (19)Flash Point: 203.001 °C; (20)Enthalpy of Vaporization: 66.462 kJ/mol; (21)Boiling Point: 412.051 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: Nc2ncc(SCc1ncc(o1)C(C)(C)C)s2
(2) InChI: InChI=1/C11H15N3OS2/c1-11(2,3)7-4-13-8(15-7)6-16-9-5-14-10(12)17-9/h4-5H,6H2,1-3H3,(H2,12,14)
(3) InChIKey: UNUCZJRZFFSFFA-UHFFFAOYAM