AC1O3BDT
5-[(2-aminocyclohexyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: (5E)-5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione|(E)-5-(((2-aminocyclohexyl)amino)methylene)-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|5-[[(2-aminocyclohexyl)amino]methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS: 577962-87-9
| Molecular Formula | C18H22N4O3S |
|---|---|
| Molecular Weight | 374.14127 g/mol |
| LogP | 2.29809 |
| Topological Polar Surface Area | 105.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.14127 |
| Monoisotopic Mass | 374.14127 |
| Heavy Atoms | 26 |
| Complexity | 917.5139 |
Chemical Identifiers
| CAS Number | 577962-87-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C=NC3CCCCC3N)O |
Product Overview
AC1O3BDT (CAS 577962-87-9), with molecular formula C18H22N4O3S and molecular weight 374.14127 g/mol. IUPAC: 5-[(2-aminocyclohexyl)iminomethyl]-6-hydroxy-1-(4-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one.
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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