| CAS Number | 923121-82-8 |
| Catalog Number | AG019K95 |
| Chemical Name | 4-cyclopropyl-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-cyclopropyl-3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C11H18N4S/c1-8-4-6-14(7-5-8)10-12-13-11(16)15(10)9-2-3-9/h8-9H,2-7H2,1H3,(H,13,16) |
| InChI Key | GJRSBHMBPMQTFZ-UHFFFAOYSA-N |
| MDL Number | MFCD08691177 |
| Molecular Formula | C11H18N4S |
| Molecular Weight | 238.3524 |
| SMILES | CC1CCN(C2N(C3CC3)C(S)=NN=2)CC1 |
| Synonyms | 4-cyclopropyl-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol,
923121-82-8,
AC1Q2R8N,
CTK6C2892,
CTK8F5880,
ZINC12505178,
AKOS009104491,
MCULE-3148561218,
NE36955,
EN300-26011,
AB00758486-01,
Z220616890,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.353g/mol |
| Monoisotopic Mass | 238.125g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number