| CAS Number | 923254-10-8 |
| Catalog Number | AG019K8K |
| Chemical Name | 5-(4-Methylpiperidin-1-yl)-4-(tetrahydrofuran-2-ylmethyl)-4h-1,2,4-triazole-3-thiol |
| IUPAC Name | 3-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C13H22N4OS/c1-10-4-6-16(7-5-10)12-14-15-13(19)17(12)9-11-3-2-8-18-11/h10-11H,2-9H2,1H3,(H,15,19) |
| InChI Key | DIUJAUGZVPKJPV-UHFFFAOYSA-N |
| MDL Number | MFCD08691152 |
| Molecular Formula | C13H22N4OS |
| Molecular Weight | 282.4050 |
| SMILES | CC1CCN(C2N(CC3OCCC3)C(S)=NN=2)CC1 |
| Synonyms | 5-(4-methylpiperidin-1-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol,
923254-10-8,
5-(4-methylpiperidin-1-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol,
AC1Q2R8P,
AKOS033801459,
MCULE-6391532155,
NE20731,
EN300-25948,
Z220616798,
5-(4-methylpiperidin-1-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.151g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.406g/mol |
| Monoisotopic Mass | 282.151g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number