| CAS Number | 1378261-24-5 |
| Catalog Number | AG01DWYZ |
| Chemical Name | 5-Chloro-3-(2,3-dimethoxyphenyl)-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-(2,3-dimethoxyphenyl)-1,2,4-thiadiazole |
| InChI | InChI=1S/C10H9ClN2O2S/c1-14-7-5-3-4-6(8(7)15-2)9-12-10(11)16-13-9/h3-5H,1-2H3 |
| InChI Key | FYISOCMLPDQKMR-UHFFFAOYSA-N |
| MDL Number | MFCD22373774 |
| Molecular Formula | C10H9ClN2O2S |
| Molecular Weight | 256.7087 |
| SMILES | COc1c(OC)cccc1c1nsc(n1)Cl |
| Synonyms | 5-chloro-3(2,3-dimethoxyphenyl)-1,2,4-thiadiazole,
5-Chloro-3-(2,3-dimethoxyphenyl)-1,2,4-thiadiazole,
1378261-24-5,
ZX-AT013695,
MFCD22373774,
ZINC75761072,
OR52115,
T6894,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.704g/mol |
| Monoisotopic Mass | 256.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number