| CAS Number | 1250557-86-8 |
| Catalog Number | AG01AAYI |
| Chemical Name | 1-(4,5,6,7-Tetrahydro-1-benzothiophen-2-ylmethyl)piperazine |
| IUPAC Name | 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)piperazine |
| InChI | InChI=1S/C13H20N2S/c1-2-4-13-11(3-1)9-12(16-13)10-15-7-5-14-6-8-15/h9,14H,1-8,10H2 |
| InChI Key | QPLYIIXLSILJDD-UHFFFAOYSA-N |
| MDL Number | MFCD16778377 |
| Molecular Formula | C13H20N2S |
| Molecular Weight | 236.3763 |
| SMILES | C(C1SC2=C(CCCC2)C=1)N1CCNCC1 |
| Synonyms | 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)piperazine,
1250557-86-8,
AC1Q28YE,
ZINC52860932,
AKOS011776567,
MCULE-1144272222,
NE57848,
EN300-69918,
Z1696822400,
1-[(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]piperazine,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.377g/mol |
| Monoisotopic Mass | 236.135g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number