| CAS Number | 923125-44-4 |
| Catalog Number | AG019K8M |
| Chemical Name | 5-(morpholin-4-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 3-morpholin-4-yl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C11H18N4O2S/c18-11-13-12-10(14-3-6-16-7-4-14)15(11)8-9-2-1-5-17-9/h9H,1-8H2,(H,13,18) |
| InChI Key | PPRYRQSBWFHMST-UHFFFAOYSA-N |
| MDL Number | MFCD08691154 |
| Molecular Formula | C11H18N4O2S |
| Molecular Weight | 270.3512 |
| SMILES | SC1N(CC2OCCC2)C(N2CCOCC2)=NN=1 |
| Synonyms | 923125-44-4,
5-(morpholin-4-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol,
5-morpholin-4-yl-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol,
AC1Q7GK9,
AKOS009104268,
MCULE-8177420852,
NE21677,
EN300-25951,
AB00984236-01,
Z220616796,
5-(morpholin-4-yl)-4-[(oxolan-2-yl)methyl]-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 | 270.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.351g/mol |
| Monoisotopic Mass | 270.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number