| CAS Number | 923748-98-5 |
| Catalog Number | AG019K8P |
| Chemical Name | 4-[(furan-2-yl)methyl]-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C13H18N4OS/c1-10-4-6-16(7-5-10)12-14-15-13(19)17(12)9-11-3-2-8-18-11/h2-3,8,10H,4-7,9H2,1H3,(H,15,19) |
| InChI Key | GWSRIUVCUBNOLV-UHFFFAOYSA-N |
| MDL Number | MFCD08691157 |
| Molecular Formula | C13H18N4OS |
| Molecular Weight | 278.3732 |
| SMILES | CC1CCN(C2N(CC3OC=CC=3)C(S)=NN=2)CC1 |
| Synonyms | 4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol,
923748-98-5,
4-(2-furylmethyl)-5-(4-methylpiperidin-1-yl)-4H-1,2,4-triazole-3-thiol,
AC1Q2R8O,
CTK6C2893,
CTK8F5281,
ZINC12505169,
AKOS033801458,
MCULE-8961689770,
NE33201,
EN300-25955,
AB00757778-01,
AB00757778-02,
Z220616794,
4-[(furan-2-yl)methyl]-5-(4-methylpiperidin-1-yl)-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 | 278.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.374g/mol |
| Monoisotopic Mass | 278.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number