AC1MGHCX
4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid
Also Known As: A3877/0164784|SR-01000302104-1|4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]butanoic acid|4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid|2-(3-mercapto-5-(quinolin-2-yl)-4H-1,2,4-triazol-4-yl)-4-(methylthio)butanoic acid|4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]butanoic acid
| Molecular Formula | C16H16N4O2S2 |
|---|---|
| Molecular Weight | 360.07147 g/mol |
| LogP | 3.53469 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.07147 |
| Monoisotopic Mass | 360.07147 |
| Heavy Atoms | 24 |
| Complexity | 934.97217 |
Chemical Identifiers
| CAS Number | 728035-31-2 |
|---|---|
| SMILES | CSCCC(C(=O)O)N1C(=NNC1=S)C2=NC3=CC=CC=C3C=C2 |
Product Overview
AC1MGHCX (CAS 728035-31-2), with molecular formula C16H16N4O2S2 and molecular weight 360.07147 g/mol. IUPAC: 4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid.
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