| CAS Number | 537017-33-7 |
| Catalog Number | AG01A0PZ |
| Chemical Name | 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C13H17N5O2S/c1-3-18-12(9-4-6-10(20-2)7-5-9)16-17-13(18)21-8-11(19)15-14/h4-7H,3,8,14H2,1-2H3,(H,15,19) |
| InChI Key | UBLJXSKEBAPQNM-UHFFFAOYSA-N |
| MDL Number | MFCD07364290 |
| Molecular Formula | C13H17N5O2S |
| Molecular Weight | 307.3714 |
| SMILES | CCN1C(C2=CC=C(OC)C=C2)=NN=C1SCC(NN)=O |
| Synonyms | 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
537017-33-7,
2-[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-ylthio]acetohydrazide,
SBB040732,
ZINC36724700,
AKOS000268674,
MCULE-6555287447,
NE17406,
ST50214264,
EN300-110748,
[4-Ethyl-5-(4-methoxyphenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.372g/mol |
| Monoisotopic Mass | 307.11g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number