AC1NCCKU
2-[[4-methyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[[4-methyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide|2-{[4-methyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide|2-(4-methyl-5-(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-1,2,4-triazol-3-ylthio )acetamide|2-[[4-methyl-5-(4,5,6,7-tetrahydrobenzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C13H16N4OS2 |
|---|---|
| Molecular Weight | 308.07657 g/mol |
| LogP | 1.9998 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.07657 |
| Monoisotopic Mass | 308.07657 |
| Heavy Atoms | 20 |
| Complexity | 646.837 |
Chemical Identifiers
| CAS Number | 588680-49-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N)C2=CSC3=C2CCCC3 |
Product Overview
AC1NCCKU (CAS 588680-49-3), with molecular formula C13H16N4OS2 and molecular weight 308.07657 g/mol. IUPAC: 2-[[4-methyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
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