| CAS Number | 113264-15-6 |
| Catalog Number | AG019MZ9(AGN-PC-05TQBY) |
| Chemical Name | 2-Butyl-4-(chloromethyl)-1,3-thiazole |
| IUPAC Name | 2-butyl-4-(chloromethyl)-1,3-thiazole |
| InChI | InChI=1S/C8H12ClNS/c1-2-3-4-8-10-7(5-9)6-11-8/h6H,2-5H2,1H3 |
| InChI Key | CSDYVSFANGSMQG-UHFFFAOYSA-N |
| MDL Number | MFCD11099606 |
| Molecular Formula | C8H12ClNS |
| Molecular Weight | 189.7056 |
| SMILES | CCCCC1SC=C(CCl)N=1 |
| Synonyms | 2-butyl-4-(chloromethyl)-1,3-thiazole,
113264-15-6,
AC1Q2VKN,
CTK6D6597,
ZINC32627389,
AKOS026730014,
NE22016,
EN300-38995,
|
| Complexity | 110 |
| 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 | 4 |
| 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