AC1O6YHB
4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate|4-(methylsulfanyl)-2-[(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoate
CAS: 488131-53-9
| Molecular Formula | C14H14N2O3S3 |
|---|---|
| Molecular Weight | 354.01666 g/mol |
| LogP | 0.5735 |
| Topological Polar Surface Area | 74.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.01666 |
| Monoisotopic Mass | 354.01666 |
| Heavy Atoms | 22 |
| Complexity | 619.0189 |
Chemical Identifiers
| CAS Number | 488131-53-9 |
|---|---|
| SMILES | CSCCC(C(=O)[O-])N1C(=O)/C(=C/C2=C[NH+]=CC=C2)/SC1=S |
Product Overview
AC1O6YHB (CAS 488131-53-9), with molecular formula C14H14N2O3S3 and molecular weight 354.01666 g/mol. IUPAC: 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
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 →
AC1O6YHB is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »