AC1MQSXA
4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: AK-968/41923787|4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione|4-benzyl-5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol|4-benzyl-5-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole-3-thiol|5-[6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-4-benzyl-1,2,4-tri azole-3-thiol
| Molecular Formula | C21H25N3S2 |
|---|---|
| Molecular Weight | 383.149 g/mol |
| LogP | 5.86849 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.149 |
| Monoisotopic Mass | 383.149 |
| Heavy Atoms | 26 |
| Complexity | 957.3004 |
Chemical Identifiers
| CAS Number | 438236-72-7 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC=C2C3=NNC(=S)N3CC4=CC=CC=C4 |
Product Overview
AC1MQSXA (CAS 438236-72-7), with molecular formula C21H25N3S2 and molecular weight 383.149 g/mol. IUPAC: 4-benzyl-3-(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-1H-1,2,4-triazole-5-thione.
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