| CAS Number | 893726-82-4 |
| Catalog Number | AG01A0QK |
| Chemical Name | 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C16H23N5OS/c1-5-21-14(19-20-15(21)23-10-13(22)18-17)11-6-8-12(9-7-11)16(2,3)4/h6-9H,5,10,17H2,1-4H3,(H,18,22) |
| InChI Key | LCNYLQRZYLLEDG-UHFFFAOYSA-N |
| MDL Number | MFCD07364312 |
| Molecular Formula | C16H23N5OS |
| Molecular Weight | 333.4517 |
| SMILES | CCN1C(C2=CC=C(C(C)(C)C)C=C2)=NN=C1SCC(NN)=O |
| Synonyms | 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893726-82-4,
SBB040753,
ZINC36724735,
AKOS000268997,
MCULE-6501176978,
NE25695,
EN300-110769,
[5-(4-tert-butylphenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
2-{5-[4-(tert-butyl)phenyl]-4-ethyl-1,2,4-triazol-3-ylthio}acetohydrazide,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.454g/mol |
| Monoisotopic Mass | 333.162g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number