| CAS Number | 1221341-18-9 |
| Catalog Number | AG01BV9M |
| Chemical Name | 5-chloro-3-(2-methylphenyl)-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-(2-methylphenyl)-1,2,4-thiadiazole |
| InChI | InChI=1S/C9H7ClN2S/c1-6-4-2-3-5-7(6)8-11-9(10)13-12-8/h2-5H,1H3 |
| InChI Key | GAOTZMUSSHRSGX-UHFFFAOYSA-N |
| MDL Number | MFCD14707355 |
| Molecular Formula | C9H7ClN2S |
| Molecular Weight | 210.6833 |
| SMILES | CC1=C(C2N=C(Cl)SN=2)C=CC=C1 |
| Synonyms | 5-chloro-3-(2-methylphenyl)-1,2,4-thiadiazole,
1221341-18-9,
ZINC47218932,
AKOS014601680,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.679g/mol |
| Monoisotopic Mass | 210.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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