3-(Benzylthio)acrylic acid, methyl ester
methyl (Z)-3-benzylsulfanylprop-2-enoate
Also Known As: -3- acrylicacidmethylester|3-(Benzylthio)acrylic acid, methyl ester|methyl (Z)-3-benzylsulfanylprop-2-enoate|(Z)-3-(Benzylthio)acrylic acid methyl ester|methyl (2Z)-3-(benzylsulfanyl)prop-2-enoate|Methyl (2Z)-3-(benzylsulfanyl)-2-propenoate #|(Z)-3-[(Phenylmethyl)thio]propenoic acid methyl ester|2-Propenoic acid, 3-[(phenylmethyl)thio]-, methyl ester, (Z)-
CAS: 77611-66-6
| Molecular Formula | C11H12O2S |
|---|---|
| Molecular Weight | 208.0558 g/mol |
| LogP | 2.6065 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0558 |
| Monoisotopic Mass | 208.0558 |
| Heavy Atoms | 14 |
| Complexity | 306.3234 |
Chemical Identifiers
| CAS Number | 77611-66-6 |
|---|---|
| SMILES | COC(=O)/C=C\SCC1=CC=CC=C1 |
Product Overview
3-(Benzylthio)acrylic acid, methyl ester (CAS 77611-66-6), with molecular formula C11H12O2S and molecular weight 208.0558 g/mol. IUPAC: methyl (Z)-3-benzylsulfanylprop-2-enoate.
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.
View MSDS →
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