Methyl 2-isocyano-4-(methylsulfanyl)butanoate structure

Methyl 2-isocyano-4-(methylsulfanyl)butanoate

methyl 2-isocyano-4-methylsulfanylbutanoate

Also Known As: 2-Isocyano-4-(methylthio)butyric acid methyl ester|methyl 2-isocyano-4-(methylsulfanyl)butanoate|GS-0324|methyl 2-isocyano-4-methylsulfanylbutanoate|2-Methoxy-4-nitrobenzenesulfonyl chloride|2-ISOCYANO-4- BUTYRICACIDMETHYLESTER|Hexanedinitrile,3-methyl-2,5-bis(methylene)|Methyl 2-isocyano-4-methylsulfanyl-butanoate|METHYL 2-ISOCYANO-4-(METHYLTHIO)BUTYRATE|I14-106140|BUTANOIC ACID,2-ISOCYANO-4-(METHYLTHIO)-, METHYL ESTER (9CI)

CAS: 63472-90-2
Molecular Formula C7H11NO2S
Molecular Weight 173.05106 g/mol
LogP 1.20039
Topological Polar Surface Area 30.66 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 4
Exact Mass 173.05106
Monoisotopic Mass 173.05106
Heavy Atoms 11
Complexity 164.31374

Chemical Identifiers

CAS Number 63472-90-2
SMILES COC(=O)C(CCSC)[N+]#[C-]

Product Overview

Methyl 2-isocyano-4-(methylsulfanyl)butanoate (CAS 63472-90-2), with molecular formula C7H11NO2S and molecular weight 173.05106 g/mol. IUPAC: methyl 2-isocyano-4-methylsulfanylbutanoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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