| CAS Number | 77822-86-7 |
| Catalog Number | AG01E9MH(AGN-PC-0WCV9P) |
| Chemical Name | 2-Tert-butyl-5-chloro-1,3,4-thiadiazole |
| IUPAC Name | 2-tert-butyl-5-chloro-1,3,4-thiadiazole |
| InChI | InChI=1S/C6H9ClN2S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3 |
| InChI Key | WXRKAOGJPGTSMQ-UHFFFAOYSA-N |
| MDL Number | MFCD18344819 |
| Molecular Formula | C6H9ClN2S |
| Molecular Weight | 176.6671 |
| SMILES | C(C)(C)(C)c1sc(nn1)Cl |
| Synonyms | 2-tert-butyl-5-chloro-1,3,4-thiadiazole,
77822-86-7,
SCHEMBL11209382,
ALBB-027342,
MFCD18344819,
ZINC71050554,
AKOS012692606,
T4506,
1,3,4-thiadiazole, 2-chloro-5-(1,1-dimethylethyl)-,
|
| Complexity | 123 |
| 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 | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number