| CAS Number | 401567-29-1 |
| Catalog Number | AG01E73T |
| Chemical Name | 2-Chloro-6-(propan-2-yloxy)-1,3-benzothiazole |
| IUPAC Name | 2-chloro-6-propan-2-yloxy-1,3-benzothiazole |
| InChI | InChI=1S/C10H10ClNOS/c1-6(2)13-7-3-4-8-9(5-7)14-10(11)12-8/h3-6H,1-2H3 |
| InChI Key | VDXJKIZWLVTCGY-UHFFFAOYSA-N |
| MDL Number | MFCD19264778 |
| Molecular Formula | C10H10ClNOS |
| Molecular Weight | 227.7105 |
| SMILES | CC(C)OC1=CC=C2N=C(Cl)SC2=C1 |
| Synonyms | 2-chloro-6-isopropoxybenzo[d]thiazole,
401567-29-1,
Benzothiazole, 2-chloro-6-(1-methylethoxy)-,
SCHEMBL778394,
VDXJKIZWLVTCGY-UHFFFAOYSA-N,
AKOS022429610,
2-chloro-6-(propan-2-yloxy)-1,3-benzothiazole,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.706g/mol |
| Monoisotopic Mass | 227.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number