| CAS Number | 873395-73-4 |
| Catalog Number | AG01AAHZ(AGN-PC-0WOBGH) |
| Chemical Name | 4-(Pyrimidin-2-yl)piperazine-1-carbothioamide |
| IUPAC Name | 4-pyrimidin-2-ylpiperazine-1-carbothioamide |
| InChI | InChI=1S/C9H13N5S/c10-8(15)13-4-6-14(7-5-13)9-11-2-1-3-12-9/h1-3H,4-7H2,(H2,10,15) |
| InChI Key | JFQQCLFERGTRQN-UHFFFAOYSA-N |
| MDL Number | MFCD09805395 |
| Molecular Formula | C9H13N5S |
| Molecular Weight | 223.2980 |
| SMILES | NC(N1CCN(C2=NC=CC=N2)CC1)=S |
| Synonyms | 4-(pyrimidin-2-yl)piperazine-1-carbothioamide,
873395-73-4,
CTK7D3931,
AC1Q5023,
ZINC19264732,
AKOS000148583,
NE26933,
EN300-68664,
1-Piperazinecarbothioamide, 4-(2-pyrimidinyl),
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.298g/mol |
| Monoisotopic Mass | 223.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 90.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number