| CAS Number | 1815608-51-5 |
| Catalog Number | AG01EHX0 |
| Chemical Name | 1-(4-((2,4-Dimethylphenyl)thio)phenyl)piperazine |
| IUPAC Name | 1-[4-(2,4-dimethylphenyl)sulfanylphenyl]piperazine |
| InChI | InChI=1S/C18H22N2S/c1-14-3-8-18(15(2)13-14)21-17-6-4-16(5-7-17)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 |
| InChI Key | ZWSWQSDJGJPXHD-UHFFFAOYSA-N |
| MDL Number | MFCD31439555 |
| Molecular Formula | C18H22N2S |
| Molecular Weight | 298.4457 |
| SMILES | CC1=C(C=CC(=C1)C)SC1=CC=C(C=C1)N1CCNCC1 |
| Synonyms | SCHEMBL16241283,
AKOS034064459,
1-{4-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine,
1815608-51-5,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.15g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.448g/mol |
| Monoisotopic Mass | 298.15g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number