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Home > Encyclopedia > methyl 2-isothiocyanato-3-methylbutanoate

methyl 2-isothiocyanato-3-methylbutanoate

methyl 2-isothiocyanato-3-methylbutanoate structure

methyl 2-isothiocyanato-3-methylbutanoate 

structure
  • CAS No:

    114877-91-7

  • Formula:

    C7H11NO2S

  • Chemical Name:

    methyl 2-isothiocyanato-3-methylbutanoate

  • 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

methyl 2-isothiocyanato-3-methylbutanoate Basic Attributes

173.24 g/mol

173.05104977 g/mol

DTXSID40426866

Characteristics

70.8 Ų

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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