| CAS Number | 675149-83-4 |
| Catalog Number | AG019MTF(AGN-PC-010KTC) |
| Chemical Name | 2-Tert-butyl-4-(chloromethyl)-1,3-thiazole |
| IUPAC Name | 2-tert-butyl-4-(chloromethyl)-1,3-thiazole |
| InChI | InChI=1S/C8H12ClNS/c1-8(2,3)7-10-6(4-9)5-11-7/h5H,4H2,1-3H3 |
| InChI Key | GQFSKUWJLINAJD-UHFFFAOYSA-N |
| MDL Number | MFCD09693922 |
| Molecular Formula | C8H12ClNS |
| Molecular Weight | 189.7056 |
| SMILES | CC(C1SC=C(CCl)N=1)(C)C |
| Synonyms | 2-tert-butyl-4-(chloromethyl)-1,3-thiazole,
2-(tert-Butyl)-4-(chloromethyl)thiazole,
675149-83-4,
AC1Q1MCE,
SCHEMBL3760695,
CTK6H6752,
GQFSKUWJLINAJD-UHFFFAOYSA-N,
STL302015,
ZINC20216482,
AKOS000320892,
MCULE-8098206156,
NE36411,
SC-33363,
2-tert-butyl-4-chloromethyl-1,3-thiazole,
2-TERT-BUTYL-4-(CHLOROMETHYL)THIAZOLE,
EN300-37233,
|
| 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