4-Oxo-5-thiocyanatopentanoic acid
4-oxo-5-thiocyanatopentanoic acid
Also Known As: 4-oxo-5-thiocyanatopentanoic acid|4-oxo-5-thiocyanato-pentanoicacid|Pentanoic acid,4-oxo-5-thiocyanato-|Pentanoic acid,4-oxo-5-thiocyanato|4-Oxo-5-(thiocyanato)pentanoic acid
CAS: 6302-36-9
| Molecular Formula | C6H7NO3S |
|---|---|
| Molecular Weight | 173.01466 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.01466 |
| Monoisotopic Mass | 173.01466 |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 6302-36-9 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)CSC#N |
| InChIKey | LTRVIAZIWPWMTA-UHFFFAOYSA-N |
Product Overview
4-Oxo-5-thiocyanatopentanoic acid (CAS 6302-36-9), with molecular formula C6H7NO3S and molecular weight 173.01466 g/mol. IUPAC: 4-oxo-5-thiocyanatopentanoic acid.
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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