| SKU | Size | Availability | Price | Qty |
|---|---|---|---|---|
| P160267-25mg | 25mg | 3 | $23.90 | |
| P160267-100mg | 100mg | 2 | $72.90 | |
| P160267-500mg | 500mg | 2 | $324.90 |
| Synonyms | 5-(1-Methylpropyl)-3-phenyl-2-thioxoimidazolidin-4-one | 5-butan-2-yl-3-phenyl-2-sulfanylideneimidazolidin-4-one | CS-0367010 | 5-(butan-2-yl)-3-phenyl-2-sulfanylideneimidazolidin-4-one | A828233 | EINECS 225-771-2 | 5-(Butan-2-yl)-3-phenyl-2-sulfanyl-3,5 |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at 2-8°C |
| Shipped In | Wet ice |
| Pubchem Sid | 504762359 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762359 |
| IUPAC Name | 5-butan-2-yl-3-phenyl-2-sulfanylideneimidazolidin-4-one |
| INCHI | InChI=1S/C13H16N2OS/c1-3-9(2)11-12(16)15(13(17)14-11)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3,(H,14,17) |
| InChi Key | NMRFWXLNHGJLIU-UHFFFAOYSA-N |
| Canonical SMILES | CCC(C)C1C(=O)N(C(=S)N1)C2=CC=CC=C2 |
| Isomeric SMILES | CCC(C)C1C(=O)N(C(=S)N1)C2=CC=CC=C2 |
| PubChem CID | 3034584 |
| Molecular Weight | 248.34 |
| Reaxy-Rn | 214665 |
| Specific Rotation[α] | 24° (C=1,EtOH) |
|---|---|
| Melt Point(°C) | 178°C - 182°C |
| Molecular Weight | 248.350 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 248.098 Da |
| Monoisotopic Mass | 248.098 Da |
| Topological Polar Surface Area | 64.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 313.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| Reaxy-Rn | 214665 |
|---|
