| CAS Number | 37545-29-2 |
| Catalog Number | AG01A0MY |
| Chemical Name | 4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-ethyl-3-pyrazin-2-yl-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C8H9N5S/c1-2-13-7(11-12-8(13)14)6-5-9-3-4-10-6/h3-5H,2H2,1H3,(H,12,14) |
| InChI Key | XXPRXVAPLPBSTB-UHFFFAOYSA-N |
| MDL Number | MFCD07364220 |
| Molecular Formula | C8H9N5S |
| Molecular Weight | 207.2556 |
| SMILES | CCN1C(C2=NC=CN=C2)=NN=C1S |
| Synonyms | 4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol,
37545-29-2,
SCHEMBL12235673,
SBB040394,
ZINC36724602,
AKOS000268532,
MCULE-2747297965,
NE13600,
4-ethyl-5-pyrazin-2-yl-1,2,4-triazole-3-thiol,
4-Ethyl-5-pyrazin-2-yl-4H-[1,2,4]triazole-3-thiol,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.255g/mol |
| Monoisotopic Mass | 207.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number