| CAS Number | 80835-30-9 |
| Catalog Number | AG01FFX7(AGN-PC-00KJYU) |
| Chemical Name | 1-[4-(Methylthio)phenyl]piperazine |
| IUPAC Name | 1-(4-methylsulfanylphenyl)piperazine |
| InChI | InChI=1S/C11H16N2S/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3 |
| InChI Key | XZVSQQZKZDSREW-UHFFFAOYSA-N |
| MDL Number | MFCD12164739 |
| Molecular Formula | C11H16N2S |
| Molecular Weight | 208.3231 |
| SMILES | CSC1=CC=C(N2CCNCC2)C=C1 |
| Synonyms | 1-[4-(methylthio)phenyl]piperazine,
80835-30-9,
1-(4-(Methylthio)phenyl)piperazine,
Piperazine, 1-[4-(methylthio)phenyl]-,
SCHEMBL4930219,
XZVSQQZKZDSREW-UHFFFAOYSA-N,
MFCD12164739,
1-[4-(methylsulfanyl)phenyl]piperazine,
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.323g/mol |
| Monoisotopic Mass | 208.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number