Butanoic acid,2-isothiocyanato-3-methyl-,methyl ester

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Catalog Number
ACM21055414
Product Name
Butanoic acid,2-isothiocyanato-3-methyl-,methyl ester
Structure
Structure
CAS
21055-41-4
Category
Heterocyclic Organic Compound
Synonyms
21055-41-4, Methyl L-2-isothiocyanato-3-methylbutyrate, MolPort-002-497-911, ZINC02528095, AKOS006343971, KB-105318, methyl (2S)-2-isothiocyanato-3-methylbutanoate, methyl (2S)-2-isothiocyanato-3-methyl-butanoate, A815102, (2S)-2-isothiocyanato-3-methylbutanoic acid methyl ester
IUPAC Name
methyl (2S)-2-isothiocyanato-3-methylbutanoate
Molecular Weight
173.23
Molecular Formula
C7H11NO2S
Canonical SMILES
CC(C)C(C(=O)OC)N=C=S
InChI Key
MFTMQIVHQZBFTC-LURJTMIESA-N
Boiling Point
230.2ºC at 760mmHg
Flash Point
93ºC
Density
1.08g/cm³
Exact Mass
173.05100
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26-36/37/39
MSDS
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COA
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Spec Sheet
Download Spec Sheet
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