AC1NT50K
2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetic acid
Also Known As: BAS 01218448|BIM-0038059.P001|2-[(3Z)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]-2,3-dihydro-1H-indol-1-yl]acetic acid|{2-oxo-3-[(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)imino]-2,3-dihydro-1H-indol-1-yl}acetic acid|2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetic acid
CAS: 314746-40-2
| Molecular Formula | C13H9N3O4S2 |
|---|---|
| Molecular Weight | 335.00345 g/mol |
| LogP | 0.6822 |
| Topological Polar Surface Area | 90.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.00345 |
| Monoisotopic Mass | 335.00345 |
| Heavy Atoms | 22 |
| Complexity | 730.55566 |
Chemical Identifiers
| CAS Number | 314746-40-2 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)/N=C/2\C3=CC=CC=C3N(C2=O)CC(=O)O |
Product Overview
AC1NT50K (CAS 314746-40-2), with molecular formula C13H9N3O4S2 and molecular weight 335.00345 g/mol. IUPAC: 2-[(3E)-2-oxo-3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)imino]indol-1-yl]acetic 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.
View MSDS →
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