Butanoic acid,2-isocyano-4-(methylthio)-,methyl ester(9ci)

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Catalog Number
ACM63472902
Product Name
Butanoic acid,2-isocyano-4-(methylthio)-,methyl ester(9ci)
Structure
Structure
CAS
63472-90-2
Category
Heterocyclic Organic Compound
Synonyms
METHYL 2-ISOCYANO-4-(METHYLTHIO)BUTYRATE;2-ISOCYANO-4-(METHYLTHIO)BUTYRIC ACID METHYL ESTER;Methyl 2-isocyano-4-(methylthio)butyrate,96%
IUPAC Name
methyl 2-isocyano-4-methylsulfanylbutanoate
Molecular Weight
173.23
Molecular Formula
C7H11NO2S
Canonical SMILES
COC(=O)C(CCSC)[N+]#[C-]
InChI Key
SJNRQWGYTLWBBS-UHFFFAOYSA-N
Boiling Point
104ºC (1.5002 mmHg)
Density
0.98
Exact Mass
173.05100
Hazard Statements
Xn
H-Bond Acceptor
4
H-Bond Donor
0
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