1-Methylthio-1,3-butadiene
1-methylsulfanylbuta-1,3-diene
Also Known As: methylthiobutadiene|1-methylthio-1,3-butadiene|1,3-Butadiene, 1-(methylthio)-, (E)-|1,3-Butadiene, 1-(methylthio)-, (Z)-
CAS: 39198-70-4
| Molecular Formula | C5H8S |
|---|---|
| Molecular Weight | 100.03467 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.03467 |
| Monoisotopic Mass | 100.03467 |
| Heavy Atoms | 6 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 39198-70-4 |
|---|---|
| SMILES | CSC=CC=C |
| InChIKey | FEENQOXXWHCDCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Analytical Reagents (2 patents)
Biotechnology (1 patents)
Pharmaceutical Intermediates (1 patents)
Specialty Chemicals (1 patents)
Product Overview
1-Methylthio-1,3-butadiene (CAS 39198-70-4), with molecular formula C5H8S and molecular weight 100.03467 g/mol. IUPAC: 1-methylsulfanylbuta-1,3-diene.
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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