| CAS Number | 1177291-56-3 |
| Catalog Number | AG008VIK(AGN-PC-0WONKT) |
| Chemical Name | 4-(2-Chloroethyl)-2-methylthiazole |
| IUPAC Name | 4-(2-chloroethyl)-2-methyl-1,3-thiazole |
| InChI | InChI=1S/C6H8ClNS/c1-5-8-6(2-3-7)4-9-5/h4H,2-3H2,1H3 |
| InChI Key | OPMVBCKIEBSWKW-UHFFFAOYSA-N |
| MDL Number | MFCD11053952 |
| Molecular Formula | C6H8ClNS |
| Molecular Weight | 161.6524 |
| SMILES | CC1SC=C(CCCl)N=1 |
| Synonyms | 1177291-56-3,
4-(2-chloroethyl)-2-methyl-1,3-thiazole,
4-(2-Chloroethyl)-2-methylthiazole,
SCHEMBL10741403,
MFCD11053952,
ZINC19092949,
AKOS006309219,
Thiazole, 4-(2-chloroethyl)-2-methyl-,
AJ-71961,
Y-6549,
4-(2-Chloroethyl)-2-methyl-1,3-thiazole AldrichCPR,
4-(2-chloroethyl)-2-methyl-1,3-thiazole(SALTDATA,
4-(2-Chloroethyl)-2-methyl-1,3-thiazole, AldrichCPR,
|
| Complexity | 89.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.647g/mol |
| Monoisotopic Mass | 161.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number