Thio-seco-HC-3
[2-[4-[4-[2-[dimethyl(2-sulfanylethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(2-sulfanylethyl)azanium dibromide
| Molecular Formula | C24H34Br2N2O2S2 |
|---|---|
| Molecular Weight | 606.5 g/mol |
| Topological Polar Surface Area | 36.1 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 606.0408 |
| Heavy Atoms | 32 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 60872-42-6 |
|---|---|
| SMILES | C[N+](C)(CCS)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCS.[Br-].[Br-] |
| InChIKey | PSQNODLEDYBLTJ-UHFFFAOYSA-N |
📖 Product Overview
Thio-seco-HC-3 (CAS: 60872-42-6) is a chemical compound with molecular formula C24H34Br2N2O2S2 and molecular weight 606.5 g/mol. Its IUPAC systematic name is [2-[4-[4-[2-[dimethyl(2-sulfanylethyl)azaniumyl]-2-oxoethyl]phenyl]phenyl]acetyl]-dimethyl-(2-sulfanylethyl)azanium dibromide.
PSQNODLEDYBLTJ-UHFFFAOYSA-N.
SMILES: C[N+](C)(CCS)C(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)[N+](C)(C)CCS.[Br-].[Br-].
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