| CAS Number | 926269-71-8 |
| Catalog Number | AG019N2E |
| Chemical Name | 4-methyl-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-methyl-3-morpholin-4-yl-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C7H12N4OS/c1-10-6(8-9-7(10)13)11-2-4-12-5-3-11/h2-5H2,1H3,(H,9,13) |
| InChI Key | YXGMOJMATVVZCN-UHFFFAOYSA-N |
| MDL Number | MFCD09041978 |
| Molecular Formula | C7H12N4OS |
| Molecular Weight | 200.2614 |
| SMILES | CN1C(N2CCOCC2)=NN=C1S |
| Synonyms | 4-methyl-5-(morpholin-4-yl)-4H-1,2,4-triazole-3-thiol,
926269-71-8,
4-methyl-5-morpholin-4-yl-4H-1,2,4-triazole-3-thiol,
AC1Q3Y6N,
SCHEMBL20450763,
CTK8A8560,
CTK8F6125,
ZINC21950204,
AKOS000124193,
MCULE-9000727896,
NE14141,
EN300-39220,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.26g/mol |
| Monoisotopic Mass | 200.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number