| CAS Number | 860196-73-2 |
| Catalog Number | AG019YIF(AGN-PC-0WOBX3) |
| Chemical Name | 7-chloro-4-[(2-chloroethyl)sulfanyl]quinoline |
| IUPAC Name | 7-chloro-4-(2-chloroethylsulfanyl)quinoline |
| InChI | InChI=1S/C11H9Cl2NS/c12-4-6-15-11-3-5-14-10-7-8(13)1-2-9(10)11/h1-3,5,7H,4,6H2 |
| InChI Key | NGBRUSRFQUPJDB-UHFFFAOYSA-N |
| MDL Number | MFCD12172312 |
| Molecular Formula | C11H9Cl2NS |
| Molecular Weight | 258.1669 |
| SMILES | ClCCSC1=C2C(C=C(C=C2)Cl)=NC=C1 |
| Synonyms | 7-chloro-4-[(2-chloroethyl)sulfanyl]quinoline,
860196-73-2,
ZINC35322202,
AKOS009480036,
MCULE-3320952180,
NE21833,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.16g/mol |
| Monoisotopic Mass | 256.983g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number