AC1N4S4S
6-[[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
Also Known As: F0648-0649|6-[[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-((5-(benzylthio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-{[5-(benzylsulfanyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CAS: 852153-65-2
| Molecular Formula | C22H21N5O3S |
|---|---|
| Molecular Weight | 435.1365 g/mol |
| LogP | 2.9257 |
| Topological Polar Surface Area | 105.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.1365 |
| Monoisotopic Mass | 435.1365 |
| Heavy Atoms | 31 |
| Complexity | 1234.5536 |
Chemical Identifiers
| CAS Number | 852153-65-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)CC4=CC(=O)NC(=O)N4 |
Product Overview
AC1N4S4S (CAS 852153-65-2), with molecular formula C22H21N5O3S and molecular weight 435.1365 g/mol. IUPAC: 6-[[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.
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.
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