| CAS Number | 1433887-48-9 |
| Catalog Number | AG01B9KS |
| Chemical Name | 5-Chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole |
| InChI | InChI=1S/C6H9ClN2OS/c1-6(2,10-3)4-8-5(7)11-9-4/h1-3H3 |
| InChI Key | IMDSTMKBEFZQGL-UHFFFAOYSA-N |
| MDL Number | MFCD21823411 |
| Molecular Formula | C6H9ClN2OS |
| Molecular Weight | 192.6665 |
| SMILES | COC(C1N=C(Cl)SN=1)(C)C |
| Synonyms | 5-chloro-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole,
1433887-48-9,
SCHEMBL14918863,
ZINC86075612,
AKOS017746589,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.661g/mol |
| Monoisotopic Mass | 192.012g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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