| CAS Number | 57370-16-8 |
| Catalog Number | AG019Q8W(AGN-PC-00LDQ7) |
| Chemical Name | 3-(tert-Butyl)-5-chloro-1,2,4-thiadiazole |
| IUPAC Name | 3-tert-butyl-5-chloro-1,2,4-thiadiazole |
| InChI | InChI=1S/C6H9ClN2S/c1-6(2,3)4-8-5(7)10-9-4/h1-3H3 |
| InChI Key | UYKIHTIBSFJBND-UHFFFAOYSA-N |
| MDL Number | MFCD21185952 |
| Molecular Formula | C6H9ClN2S |
| Molecular Weight | 176.6671 |
| SMILES | CC(C1N=C(Cl)SN=1)(C)C |
| Synonyms | 3-tert-butyl-5-chloro-1,2,4-thiadiazole,
57370-16-8,
3-(tert-butyl)-5-chloro-1,2,4-thiadiazole,
SCHEMBL2683239,
UYKIHTIBSFJBND-UHFFFAOYSA-N,
ZINC39418699,
AKOS014601841,
NE24139,
FT-0717331,
|
| 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 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number