| CAS Number | 1087784-63-1 |
| Catalog Number | AG019N2H(AGN-PC-0WO0NT) |
| Chemical Name | 4-(chloromethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole |
| IUPAC Name | 4-(chloromethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole |
| InChI | InChI=1S/C9H8ClNOS/c1-6-2-3-8(12-6)9-11-7(4-10)5-13-9/h2-3,5H,4H2,1H3 |
| InChI Key | IAMVQVPMFFBBOI-UHFFFAOYSA-N |
| MDL Number | MFCD11505392 |
| Molecular Formula | C9H8ClNOS |
| Molecular Weight | 213.6839 |
| SMILES | CC1OC(C2SC=C(CCl)N=2)=CC=1 |
| Synonyms | 4-(chloromethyl)-2-(5-methylfuran-2-yl)-1,3-thiazole,
1087784-63-1,
4-(chloromethyl)-2-(5-methyl-2-furyl)-1,3-thiazole,
AC1Q2MP4,
CTK6H6763,
ZINC32627517,
AKOS008122169,
MCULE-4221643138,
NE60895,
EN300-39223,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.679g/mol |
| Monoisotopic Mass | 213.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number