| CAS Number | 923254-47-1 |
| Catalog Number | AG019K4R |
| Chemical Name | 4-(2-Thien-2-ylethyl)-4h-1,2,4-triazole-3-thiol |
| IUPAC Name | 4-(2-thiophen-2-ylethyl)-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C8H9N3S2/c12-8-10-9-6-11(8)4-3-7-2-1-5-13-7/h1-2,5-6H,3-4H2,(H,10,12) |
| InChI Key | XIQUJXDLCFJLFS-UHFFFAOYSA-N |
| MDL Number | MFCD08444400 |
| Molecular Formula | C8H9N3S2 |
| Molecular Weight | 211.3072 |
| SMILES | SC1N(CCC2SC=CC=2)C=NN=1 |
| Synonyms | 4-[2-(thiophen-2-yl)ethyl]-4H-1,2,4-triazole-3-thiol,
4-(2-thien-2-ylethyl)-4H-1,2,4-triazole-3-thiol,
923254-47-1,
4-(2-(thiophen-2-yl)ethyl)-4H-1,2,4-triazole-3-thiol,
CTK8A8741,
ZINC12505079,
AKOS009098724,
MCULE-5052409813,
NE36003,
EN300-25526,
AB00983295-01,
Z212062976,
AC1Q7GMD,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.02379g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.3g/mol |
| Monoisotopic Mass | 211.02379g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 88Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number