(2-AMINOTHIAZOL-4-YL)METHANOL
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(2-AMINOTHIAZOL-4-YL)METHANOL
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CAS No:
51307-43-8
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Formula:
C4H6N2OS
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Chemical Name:
(2-AMINOTHIAZOL-4-YL)METHANOL
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Synonyms:
(2-AMINO-1,3-THIAZOL-4-YL)METHANOL;(2-AMINOTHIAZOL-4-YL)METHANOL;4-hydroxymethyl-2-aminothiazole;2-Amino-4-hydroxymethylthiazole
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CAS No:
Characteristics
87.4
-0.2
Pale yellow oil
1.5±0.1 g/cm3
98-99 °C
340.7°C at 760 mmHg
159.9±20.9 °C
1.682
(2-AMINOTHIAZOL-4-YL)METHANOL Use and Manufacturing
1-Bromo-3-hydroxypropan-2-one (60 g, 392 mmol) and thiourea (34 g, 451 mmol) were charged into a 1 L round bottom flask containing 400 mL of EtOH. The resulting mixture was heated to reflux for 90 minutes. The reaction mixture was then cooled and concentrated under reduced pressure, and a precipitate formed. The product was obtained as a solid (40 g, yield=80percent) after filtration and washing three times with hexane. The product was used directly in the next step without further purification. LCMS (API-ES) m/z (percent) 131.2 (100percent, M
Computed Properties
Molecular Weight:130.17
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:130.02008399
Monoisotopic Mass:130.02008399
Topological Polar Surface Area:87.4
Heavy Atom Count:8
Complexity:80.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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