| CAS Number | 170881-59-1 |
| Catalog Number | AG019ZAV(AGN-PC-0WO3BL) |
| Chemical Name | 4-tert-butyl-2-(chloromethyl)-1,3-thiazole |
| IUPAC Name | 4-tert-butyl-2-(chloromethyl)-1,3-thiazole |
| InChI | InChI=1S/C8H12ClNS/c1-8(2,3)6-5-11-7(4-9)10-6/h5H,4H2,1-3H3 |
| InChI Key | VDDNJXBCUCGCPN-UHFFFAOYSA-N |
| MDL Number | MFCD13189373 |
| Molecular Formula | C8H12ClNS |
| Molecular Weight | 189.7056 |
| SMILES | CC(C1N=C(CCl)SC=1)(C)C |
| Synonyms | 4-tert-butyl-2-(chloromethyl)-1,3-thiazole,
170881-59-1,
ALBB-028811,
STL302031,
ZINC45205805,
AKOS012218984,
AB68289,
MCULE-9086194373,
NE31287,
thiazole, 2-(chloromethyl)-4-(1,1-dimethylethyl)-, hydrochloride,
|
| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.701g/mol |
| Monoisotopic Mass | 189.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number