| CAS Number | 40982-19-2 |
| Catalog Number | AG01E71C |
| Chemical Name | 2-chloro-5-(1-chloroethyl)-1,3-thiazole |
| IUPAC Name | 2-chloro-5-(1-chloroethyl)-1,3-thiazole |
| InChI | InChI=1S/C5H5Cl2NS/c1-3(6)4-2-8-5(7)9-4/h2-3H,1H3 |
| InChI Key | NVDTZWLVFVZRCT-UHFFFAOYSA-N |
| MDL Number | MFCD20628166 |
| Molecular Formula | C5H5Cl2NS |
| Molecular Weight | 182.0709 |
| SMILES | CC(C1SC(Cl)=NC=1)Cl |
| Synonyms | 2-chloro-5-(1-chloroethyl)-1,3-thiazole,
40982-19-2,
Thiazole, 2-chloro-5-(1-chloroethyl)-,
SCHEMBL7999561,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.062g/mol |
| Monoisotopic Mass | 180.952g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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