| CAS Number | 1221342-59-1 |
| Catalog Number | AG00HGMW(AGN-PC-0WOO1D) |
| Chemical Name | 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole |
| InChI | InChI=1S/C11H11ClN2O2S/c1-15-8-4-3-7(5-9(8)16-2)6-10-13-11(12)17-14-10/h3-5H,6H2,1-2H3 |
| InChI Key | UGRIPVJQHKCTFL-UHFFFAOYSA-N |
| MDL Number | MFCD14707328 |
| Molecular Formula | C11H11ClN2O2S |
| Molecular Weight | 270.7352 |
| SMILES | COc1cc(ccc1OC)Cc1nsc(n1)Cl |
| Synonyms | 5-chloro-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-thiadiazole,
1221342-59-1,
KS-00001KSS,
MFCD14707328,
ZINC47218905,
AKOS014601960,
OR309415,
BC4667971,
T6323,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.731g/mol |
| Monoisotopic Mass | 270.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number