| CAS Number | 827614-61-9 |
| Catalog Number | AG00G4OA(AGN-PC-0UN7MO) |
| Chemical Name | 1-(9-Thioxanthenyl)piperazine |
| IUPAC Name | 1-(9H-thioxanthen-9-yl)piperazine |
| InChI | InChI=1S/C17H18N2S/c1-3-7-15-13(5-1)17(19-11-9-18-10-12-19)14-6-2-4-8-16(14)20-15/h1-8,17-18H,9-12H2 |
| InChI Key | CUXSJLSLVOMBMO-UHFFFAOYSA-N |
| MDL Number | MFCD04972585 |
| Molecular Formula | C17H18N2S |
| Molecular Weight | 282.4032 |
| SMILES | N1(CCNCC1)C1C2C=CC=CC=2SC2C=CC=CC=21 |
| Synonyms | 1-(9-Thioxanthenyl)piperazine,
827614-61-9,
1-(9H-thioxanthen-9-yl)piperazine,
1-(9-thioxanthenyl)-piperazine,
AC1MC345,
SCHEMBL8446859,
CTK7D1655,
DTXSID50375270,
KS-000029VJ,
ZX-AT000535,
MFCD04972585,
OR0320,
ZINC19850295,
AKOS015840962,
PS-3137,
DB-056656,
TC-071514,
FT-0644884,
1- piperazine,
CID2760630,
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| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.405g/mol |
| Monoisotopic Mass | 282.119g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number