Compound C12H21NO3S2
4-[5-(dithiolan-3-yl)pentanoylamino]butanoic acid
CAS: 59547-52-3
| Molecular Formula | C12H21NO3S2 |
|---|---|
| Molecular Weight | 291.4 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 117.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 291.09628 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 59547-52-3 |
|---|---|
| SMILES | C1CSSC1CCCCC(=O)NCCCC(=O)O |
| InChIKey | PZSMUPGANZGPBF-UHFFFAOYSA-N |
📖 Product Overview
Compound C12H21NO3S2 (CAS: 59547-52-3) is a chemical compound with molecular formula C12H21NO3S2 and molecular weight 291.4 g/mol. Its IUPAC systematic name is 4-[5-(dithiolan-3-yl)pentanoylamino]butanoic acid.
PZSMUPGANZGPBF-UHFFFAOYSA-N.
SMILES: C1CSSC1CCCCC(=O)NCCCC(=O)O.
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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📚 Academic Support
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