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CAS No.: | 60633-24-1 |
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Name: | Thiazole, 2,5-dihydro-2,4,5-triMethyl- |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H11NS |
Molecular Weight: | 129.226 |
Synonyms: | 2,4,5-Trimethyl-3-thiazoline; |
Density: | 1.106 g/cm3 |
Boiling Point: | 178.766 °C at 760 mmHg |
Flash Point: | 61.916 °C |
PSA: | 37.66000 |
LogP: | 1.36420 |
Conditions | Yield |
---|---|
With ammonia at 0℃; for 2h; | 44% |
With ammonia |
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The 2,4,5-Trimethyl-2,5-dihydro-1,3-thiazole, with the CAS registry number 60633-24-1, is also known as 2,4,5-Trimethyl-3-thiazoline. This chemical's molecular formula is C6H11NS and molecular weight is 129.22. What's more, its IUPAC name is the same with its product name.
Physical properties about 2,4,5-Trimethyl-2,5-dihydro-1,3-thiazole are: (1)ACD/LogP: 3.053; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 5.19; (6)ACD/BCF (pH 7.4): 89.90; (7)ACD/KOC (pH 5.5): 45.97; (8)ACD/KOC (pH 7.4): 796.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 37.66 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 37.953 cm3; (15)Molar Volume: 116.839 cm3; (16)Polarizability: 15.046×10-24cm3; (17)Surface Tension: 32.0100 dyne/cm; (18)Density: 1.106 g/cm3; (19)Flash Point: 61.916 °C; (20)Enthalpy of Vaporization: 39.802 kJ/mol; (21)Boiling Point: 178.766 °C at 760 mmHg; (22)Vapour Pressure: 1.316 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N\1=C(/C)C(SC/1C)C
(2) InChI: InChI=1S/C6H11NS/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
(3) InChIKey: AIVVNNYXOSPRCW-UHFFFAOYSA-N