| CAS Number | 25565-73-5 |
| Catalog Number | AG01A9ER |
| Chemical Name | 4-(4-Chlorophenyl)piperazine-1-carbothioamide |
| IUPAC Name | 4-(4-chlorophenyl)piperazine-1-carbothioamide |
| InChI | InChI=1S/C11H14ClN3S/c12-9-1-3-10(4-2-9)14-5-7-15(8-6-14)11(13)16/h1-4H,5-8H2,(H2,13,16) |
| InChI Key | CRDZSEHZNBCBHU-UHFFFAOYSA-N |
| MDL Number | MFCD11102026 |
| Molecular Formula | C11H14ClN3S |
| Molecular Weight | 255.7670 |
| SMILES | NC(N1CCN(C2=CC=C(Cl)C=C2)CC1)=S |
| Synonyms | 4-(4-chlorophenyl)piperazine-1-carbothioamide,
25565-73-5,
AC1Q5020,
ZINC34959578,
NE39226,
EN300-64888,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.764g/mol |
| Monoisotopic Mass | 255.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number