| CAS Number | 76002-51-2 |
| Catalog Number | AG01FFX3(AGN-PC-00K3QN) |
| Chemical Name | 1-(3-(Methylthio)phenyl)piperazine |
| IUPAC Name | 1-(3-methylsulfanylphenyl)piperazine |
| InChI | InChI=1S/C11H16N2S/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3 |
| InChI Key | XCMHZUWCZNJMKA-UHFFFAOYSA-N |
| MDL Number | MFCD00129750 |
| Molecular Formula | C11H16N2S |
| Molecular Weight | 208.3231 |
| SMILES | CSC1=CC(N2CCNCC2)=CC=C1 |
| Synonyms | 76002-51-2,
1-(3-methylthiophenyl)piperazine,
1-(3-(methylthio)phenyl)piperazine,
1-(3-methylsulfanyl-phenyl)-piperazine,
1-[3-(Methylthio)phenyl]piperazine,
SCHEMBL2875714,
XCMHZUWCZNJMKA-UHFFFAOYSA-N,
MFCD00129750,
ZINC37396333,
AKOS009159516,
piperazine,1-[3-(methylthio)phenyl]-,
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| Complexity | 169 |
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number