| CAS Number | 89641-65-6 |
| Catalog Number | AG00JSZF(AGN-PC-0WO96O) |
| Chemical Name | 5-chloro-3-(2-methylpropyl)-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-(2-methylpropyl)-1,2,4-thiadiazole |
| InChI | InChI=1S/C6H9ClN2S/c1-4(2)3-5-8-6(7)10-9-5/h4H,3H2,1-2H3 |
| InChI Key | GENRBCSBEZNUJF-UHFFFAOYSA-N |
| MDL Number | MFCD14707314 |
| Molecular Formula | C6H9ClN2S |
| Molecular Weight | 176.6671 |
| SMILES | CC(CC1N=C(Cl)SN=1)C |
| Synonyms | 5-chloro-3-(2-methylpropyl)-1,2,4-thiadiazole,
89641-65-6,
5-Chloro-3-isobutyl-1,2,4-thiadiazole,
KS-00001KSI,
MFCD14707314,
ZINC47218892,
AKOS014313079,
NE27182,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.662g/mol |
| Monoisotopic Mass | 176.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number