Thio-Achc-3
2-acetylsulfanylethyl-[2-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide
| Molecular Formula | C28H38Br2N2O4S2 |
|---|---|
| Molecular Weight | 690.6 g/mol |
| Topological Polar Surface Area | 119.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 690.06195 |
| Heavy Atoms | 38 |
| Complexity | 704.0 |
Chemical Identifiers
| CAS Number | 60872-43-7 |
|---|---|
| SMILES | CC(=O)SCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCSC(=O)C.[Br-].[Br-] |
| InChIKey | JLUHGMOKFOPQNN-UHFFFAOYSA-L |
📖 Product Overview
Thio-Achc-3 (CAS: 60872-43-7) is a chemical compound with molecular formula C28H38Br2N2O4S2 and molecular weight 690.6 g/mol. Its IUPAC systematic name is 2-acetylsulfanylethyl-[2-[4-[4-[2-[2-acetylsulfanylethyl(dimethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethylazanium dibromide.
JLUHGMOKFOPQNN-UHFFFAOYSA-L.
SMILES: CC(=O)SCC[N+](C)(C)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCSC(=O)C.[Br-].[Br-].
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