| CAS Number | 946418-98-0 |
| Catalog Number | AG00IIEQ(AGN-PC-0WCM4Z) |
| Chemical Name | 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole |
| InChI | InChI=1S/C9H6ClFN2S/c10-9-12-8(13-14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2 |
| InChI Key | RAIOGYGCVOVRIV-UHFFFAOYSA-N |
| MDL Number | MFCD14707335 |
| Molecular Formula | C9H6ClFN2S |
| Molecular Weight | 228.6737 |
| SMILES | Fc1ccc(cc1)Cc1nsc(n1)Cl |
| Synonyms | 946418-98-0,
5-Chloro-3-(4-fluoro-benzyl)-[1,2,4]thiadiazole,
5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole,
SCHEMBL1020357,
KS-00001KSZ,
MFCD14707335,
ZINC47218912,
AKOS014601365,
T6783,
5-Chloro-3-(4-fluorobenzyl)-1,2,4-thiadiazole,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.669g/mol |
| Monoisotopic Mass | 227.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number