methyl 2-isothiocyanato-3-methylbutanoate
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methyl 2-isothiocyanato-3-methylbutanoate
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CAS No:
114877-91-7
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Formula:
C7H11NO2S
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Chemical Name:
methyl 2-isothiocyanato-3-methylbutanoate
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Synonyms:
Methyl 2-isothiocyanato-3-methylbutanoate;methyl N-(thioxomethylene)valinate;21055-41-4;Methyl 2-isothiocyanato-3-methylbutyrate;114877-91-7;Butanoic acid,2-isothiocyanato-3-methyl-, methyl ester, (2S)- (9CI);ACMC-1BVA2;SCHEMBL1531190;ALBB-014379;AKOS003383280;MCULE-4259858189;valine, N-carbonothioyl-, methyl ester;LS-04529;DB-045464;FT-0638077;Methyl 2-isothiocyanato-3-methylbutanoate #;2-Isothiocyanato-3-methylbutyric acid methyl ester
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CAS No:
methyl 2-isothiocyanato-3-methylbutanoate Basic Attributes
173.24 g/mol
173.05104977 g/mol
DTXSID40426866
Computed Properties
Molecular Weight:173.24
XLogP3:3.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:173.05104977
Monoisotopic Mass:173.05104977
Topological Polar Surface Area:70.8
Heavy Atom Count:11
Complexity:185
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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