3-(4,5-dihydro-1H-imidazol-2-ylthio)propanoic acid
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid
Also Known As: NCIStruc1_000343|NCIStruc2_000585|NCGC00013639-02|NCGC00096751-01|NCI60_004243|3-(4,5-dihydro-1H-imidazol-2-ylthio)propanoic acid|3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid|3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride
CAS: 6344-96-3
| Molecular Formula | C6H10N2O2S |
|---|---|
| Molecular Weight | 174.0463 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.0463 |
| Monoisotopic Mass | 174.0463 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 6344-96-3 |
|---|---|
| SMILES | C1CN=C(N1)SCCC(=O)O |
| InChIKey | KSMUGJQFOMFNHC-UHFFFAOYSA-N |
Product Overview
3-(4,5-dihydro-1H-imidazol-2-ylthio)propanoic acid (CAS 6344-96-3), with molecular formula C6H10N2O2S and molecular weight 174.0463 g/mol. IUPAC: 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic 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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