| CAS Number | 99420-56-1 |
| Catalog Number | AG01E9IR(AGN-PC-0WCV9Q) |
| Chemical Name | 2-Chloro-5-isobutyl-1,3,4-thiadiazole |
| IUPAC Name | 2-chloro-5-(2-methylpropyl)-1,3,4-thiadiazole |
| InChI | InChI=1S/C6H9ClN2S/c1-4(2)3-5-8-9-6(7)10-5/h4H,3H2,1-2H3 |
| InChI Key | VJNXAXNLIREEKQ-UHFFFAOYSA-N |
| MDL Number | MFCD18344824 |
| Molecular Formula | C6H9ClN2S |
| Molecular Weight | 176.6671 |
| SMILES | S1C(CC(C)C)=NN=C1Cl |
| Synonyms | 2-chloro-5-isobutyl-1,3,4-thiadiazole,
99420-56-1,
SCHEMBL12787948,
ALBB-027345,
MFCD18344824,
ZINC82433770,
AKOS012692710,
T4507,
2-chloro-5-(2-methylpropyl)-1,3,4-thiadiazole,
1,3,4-thiadiazole, 2-chloro-5-(2-methylpropyl)-,
|
| 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 |
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Certificate of Analysis
Lot Number