| CAS Number | 850851-60-4 |
| Catalog Number | AG00GLWJ(AGN-PC-0UXEMW) |
| Chemical Name | 4-(2-Chloroethyl)-1,3-thiazole |
| IUPAC Name | 4-(2-chloroethyl)-1,3-thiazole |
| InChI | InChI=1S/C5H6ClNS/c6-2-1-5-3-8-4-7-5/h3-4H,1-2H2 |
| InChI Key | SJKXFYXCQCXHIH-UHFFFAOYSA-N |
| MDL Number | MFCD11053921 |
| Molecular Formula | C5H6ClNS |
| Molecular Weight | 147.6258 |
| SMILES | C1=C(N=CS1)CCCl |
| Synonyms | 4-(2-chloroethyl)-1,3-thiazole,
850851-60-4,
4-(2-chloro-ethyl)-thiazole,
SCHEMBL11235095,
DTXSID20608582,
Thiazole, 4-(2-chloroethyl)-,
ZINC19092526,
AKOS006308944,
AB1007493,
null,
Thiazole, 4-(2-chloroethyl)-,
|
| Complexity | 69.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.62g/mol |
| Monoisotopic Mass | 146.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number