| CAS Number | 1000932-50-2 |
| Catalog Number | AG019LAC |
| Chemical Name | 1-{[5-(2-chlorophenyl)thiophen-2-yl]methyl}piperazine |
| IUPAC Name | 1-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazine |
| InChI | InChI=1S/C15H17ClN2S/c16-14-4-2-1-3-13(14)15-6-5-12(19-15)11-18-9-7-17-8-10-18/h1-6,17H,7-11H2 |
| InChI Key | UHAWGGVIXJROMY-UHFFFAOYSA-N |
| MDL Number | MFCD09863375 |
| Molecular Formula | C15H17ClN2S |
| Molecular Weight | 292.8269 |
| SMILES | ClC1=C(C2SC(CN3CCNCC3)=CC=2)C=CC=C1 |
| Synonyms | 1-{[5-(2-chlorophenyl)thiophen-2-yl]methyl}piperazine,
1000932-50-2,
1-{[5-(2-chlorophenyl)thien-2-yl]methyl}piperazine,
AC1Q3HGZ,
CTK6H3193,
ZINC20281485,
AKOS033129748,
MCULE-8502497147,
NE28176,
EN300-30593,
Z1171248956,
1-([5-(2-chlorophenyl)thien-2-yl]methyl)piperazine,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.825g/mol |
| Monoisotopic Mass | 292.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number