Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate
methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate
Also Known As: Enamine_001499|Oprea1_845208|methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate|SR-01000029833-1
CAS: 327077-76-9
| Molecular Formula | C11H9Cl2NO2S |
|---|---|
| Molecular Weight | 288.9731 g/mol |
| LogP | 3.29178 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.9731 |
| Monoisotopic Mass | 288.9731 |
| Heavy Atoms | 17 |
| Complexity | 459.27493 |
Chemical Identifiers
| CAS Number | 327077-76-9 |
|---|---|
| SMILES | COC(=O)C(CC1=C(C=CC(=C1)Cl)Cl)SC#N |
Product Overview
Methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate (CAS 327077-76-9), with molecular formula C11H9Cl2NO2S and molecular weight 288.9731 g/mol. IUPAC: methyl 3-(2,5-dichlorophenyl)-2-thiocyanatopropanoate.
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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