| CAS Number | 923789-06-4 |
| Catalog Number | AG00IH45(AGN-PC-0WQYFV) |
| Chemical Name | 4-[(furan-2-yl)methyl]-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-(furan-2-ylmethyl)-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C11H14N4O2S/c18-11-13-12-10(14-3-6-16-7-4-14)15(11)8-9-2-1-5-17-9/h1-2,5H,3-4,6-8H2,(H,13,18) |
| InChI Key | CODKMDZDCCCUJI-UHFFFAOYSA-N |
| MDL Number | MFCD08691140 |
| Molecular Formula | C11H14N4O2S |
| Molecular Weight | 266.3195 |
| SMILES | SC1N(CC2OC=CC=2)C(N2CCOCC2)=NN=1 |
| Synonyms | 923789-06-4,
4-(2-furylmethyl)-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol,
4-(furan-2-ylmethyl)-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol,
AC1Q7GK3,
CTK8A8653,
CTK8F5284,
MFCD08691140,
ZINC12583023,
AKOS009103587,
MCULE-7504212384,
NE23819,
EN300-25916,
AB00983328-01,
Z220564262,
4-[(furan-2-yl)methyl]-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.319g/mol |
| Monoisotopic Mass | 266.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number