AC1MCEU7
4-[(3-nitrophenyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: KS-00001S6S|4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-(2-thienyl)-4H-1,2,4-triazole-3-thiol|4-[(3-nitrophenyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CAS: 118159-01-6
| Molecular Formula | C13H9N5O2S2 |
|---|---|
| Molecular Weight | 331.01978 g/mol |
| LogP | 3.45959 |
| Topological Polar Surface Area | 89.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.01978 |
| Monoisotopic Mass | 331.01978 |
| Heavy Atoms | 22 |
| Complexity | 895.30365 |
Chemical Identifiers
| CAS Number | 118159-01-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=NN2C(=NNC2=S)C3=CC=CS3 |
Product Overview
AC1MCEU7 (CAS 118159-01-6), with molecular formula C13H9N5O2S2 and molecular weight 331.01978 g/mol. IUPAC: 4-[(3-nitrophenyl)methylideneamino]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione.
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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