| CAS Number | 893726-25-5 |
| Catalog Number | AG01A0PY |
| Chemical Name | 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide |
| IUPAC Name | 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide |
| InChI | InChI=1S/C12H15N5OS/c1-2-17-11(9-6-4-3-5-7-9)15-16-12(17)19-8-10(18)14-13/h3-7H,2,8,13H2,1H3,(H,14,18) |
| InChI Key | RSSMJKKJSVYHQH-UHFFFAOYSA-N |
| MDL Number | MFCD07364289 |
| Molecular Formula | C12H15N5OS |
| Molecular Weight | 277.3454 |
| SMILES | CCN1C(C2=CC=CC=C2)=NN=C1SCC(NN)=O |
| Synonyms | 2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide,
893726-25-5,
SBB040731,
ZINC36724698,
AKOS000268673,
MCULE-3491169651,
NE13603,
EN300-110747,
2-(4-ethyl-5-phenyl-1,2,4-triazol-3-ylthio)acetohydrazide,
(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid hydrazide,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.346g/mol |
| Monoisotopic Mass | 277.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number