| CAS Number | 929972-45-2 |
| Catalog Number | AG019KIV |
| Chemical Name | 3-{4-[(oxolan-2-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}propanamide |
| IUPAC Name | 3-[4-(oxolan-2-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanamide |
| InChI | InChI=1S/C10H16N4O2S/c11-8(15)3-4-9-12-13-10(17)14(9)6-7-2-1-5-16-7/h7H,1-6H2,(H2,11,15)(H,13,17) |
| InChI Key | PFSWSBBXRMEJGE-UHFFFAOYSA-N |
| MDL Number | MFCD09040513 |
| Molecular Formula | C10H16N4O2S |
| Molecular Weight | 256.3246 |
| SMILES | NC(CCC1N(CC2OCCC2)C(S)=NN=1)=O |
| Synonyms | 3-[4-(oxolan-2-ylmethyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]propanamide,
929972-45-2,
EN300-27111,
3-[5-mercapto-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]propanamide,
AC1Q4ZM7,
CTK8F4907,
AKOS033871209,
MCULE-7543399290,
NE18576,
AB00988785-01,
Z235344693,
3-{4-[(oxolan-2-yl)methyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}propanamide,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.324g/mol |
| Monoisotopic Mass | 256.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number