| CAS Number | 1051463-88-7 |
| Catalog Number | AG01DX9B(AGN-PC-0WGDUY) |
| Chemical Name | 5-(chloromethyl)-2-(propan-2-yl)-1,3-thiazole |
| IUPAC Name | 5-(chloromethyl)-2-propan-2-yl-1,3-thiazole |
| InChI | InChI=1S/C7H10ClNS/c1-5(2)7-9-4-6(3-8)10-7/h4-5H,3H2,1-2H3 |
| InChI Key | QDERNLYZMPXHLG-UHFFFAOYSA-N |
| MDL Number | MFCD06797200 |
| Molecular Formula | C7H10ClNS |
| Molecular Weight | 175.679 |
| SMILES | CC(C1SC(CCl)=CN=1)C |
| Synonyms | 5-(chloromethyl)-2-isopropylthiazole,
1051463-88-7,
SCHEMBL2306955,
QDERNLYZMPXHLG-UHFFFAOYSA-N,
5-Chloromethyl-2-isopropylthiazole,
ZINC34525963,
5-chloromethyl-2-(isopropyl)thiazole,
AKOS014913342,
AM90540,
5-(chloromethyl)-2-(propan-2-yl)-1,3-thiazole,
5-(Chloromethyl)-2-isopropylthiazole, 95% - 1G 1g,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.674g/mol |
| Monoisotopic Mass | 175.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number