BRL 655
S-[3-acetylsulfanyl-2-(4-methylphenyl)sulfonyloxypropyl] ethanethioate
| Molecular Formula | C14H18O5S3 |
|---|---|
| Molecular Weight | 362.5 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 136.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 362.03165 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 85366-02-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(CSC(=O)C)CSC(=O)C |
| InChIKey | UYONYIDFTVVHJA-UHFFFAOYSA-N |
📖 Product Overview
BRL 655 (CAS: 85366-02-5) is a chemical compound with molecular formula C14H18O5S3 and molecular weight 362.5 g/mol. Its IUPAC systematic name is S-[3-acetylsulfanyl-2-(4-methylphenyl)sulfonyloxypropyl] ethanethioate.
UYONYIDFTVVHJA-UHFFFAOYSA-N.
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC(CSC(=O)C)CSC(=O)C.
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