CHEMBRDG-BB9072017
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CHEMBRDG-BB9072017
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CAS No:
40353-62-6
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Formula:
C6H8N2OS
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Chemical Name:
CHEMBRDG-BB9072017
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Synonyms:
CHEMBRDG-BB9072017;1-(2-Amino-5-methyl-4-thiazolyl)ethanone;1-(2-aMino-5-Methylthiazol-4-yl)ethanone;1-(2-AMINO-5-METHYL-1,3-THIAZOL-4-YL)ETHANONE;1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone1HCl;1-(2-amino-5-methyl-1,3-thiazol-4-yl)ethanone(SALTDATA:HCl)
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
CHEMBRDG-BB9072017 Use and Manufacturing
General procedure: To a solution of 4-bromopentane-2, 3-dione (1.79 g, 10.00 mmol) in ethanol (50 mL) was added thiourea (760 mg, 9.98 mmol). The resulting solution was stirred for 1 h at 100 °C and then cooled down room temperature. The mixture was filtered to afford l-(2-amino-5-methyl-l, 3-thiazol-4-yl)ethan-l-one as a off-white solid (1.2 g, 65percent). LCMS (ESI): [M+H]
Computed Properties
Molecular Weight:156.21
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:156.03573406
Monoisotopic Mass:156.03573406
Topological Polar Surface Area:84.2
Heavy Atom Count:10
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes