| CAS Number | 733030-98-3 |
| Catalog Number | AG019IW0 |
| Chemical Name | 2-{[4-Ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| IUPAC Name | 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid |
| InChI | InChI=1S/C10H11N3O2S2/c1-2-13-9(7-4-3-5-16-7)11-12-10(13)17-6-8(14)15/h3-5H,2,6H2,1H3,(H,14,15) |
| InChI Key | FOECDIDOUCEWKO-UHFFFAOYSA-N |
| MDL Number | MFCD04635906 |
| Molecular Formula | C10H11N3O2S2 |
| Molecular Weight | 269.3432 |
| SMILES | CCN1C(C2SC=CC=2)=NN=C1SCC(O)=O |
| Synonyms | 2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid,
733030-98-3,
[(4-ethyl-5-thien-2-yl-4H-1,2,4-triazol-3-yl)thio]acetic acid,
AC1MZEWA,
AC1Q30UQ,
HMS1760I15,
ZINC3887134,
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic Acid,
AKOS005198888,
MCULE-5414164881,
NE19738,
EN300-07864,
SR-01000049297,
SR-01000049297-1,
CID3871412,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.337g/mol |
| Monoisotopic Mass | 269.029g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 122A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number