2-Butanone, 3-mercapto-3-methyl- (6CI,9CI)
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2-Butanone, 3-mercapto-3-methyl- (6CI,9CI)
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CAS No:
42855-44-7
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Formula:
C5H10OS
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Chemical Name:
2-Butanone, 3-mercapto-3-methyl- (6CI,9CI)
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Synonyms:
3-mercapto-3-methyl-2-butanone;SCHEMBL1234789;3-mercapto-3-methyl-2-buta-none;3-METHYL-3-SULFANYLBUTAN-2-ONE
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CAS No:
Computed Properties
Molecular Weight:118.20
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:118.04523611
Monoisotopic Mass:118.04523611
Topological Polar Surface Area:18.1
Heavy Atom Count:7
Complexity:86.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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