| CAS Number | 1019325-36-0 |
| Catalog Number | AG01AABP |
| Chemical Name | 4-chloro-2-(5-methylthiophen-2-yl)quinazoline |
| IUPAC Name | 4-chloro-2-(5-methylthiophen-2-yl)quinazoline |
| InChI | InChI=1S/C13H9ClN2S/c1-8-6-7-11(17-8)13-15-10-5-3-2-4-9(10)12(14)16-13/h2-7H,1H3 |
| InChI Key | LUFFPVVGEVYRNA-UHFFFAOYSA-N |
| MDL Number | MFCD11127020 |
| Molecular Formula | C13H9ClN2S |
| Molecular Weight | 260.7420 |
| SMILES | CC1SC(C2=NC3=C(C=CC=C3)C(Cl)=N2)=CC=1 |
| Synonyms | 4-chloro-2-(5-methylthiophen-2-yl)quinazoline,
1019325-36-0,
ZINC19803856,
AKOS000199460,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.739g/mol |
| Monoisotopic Mass | 260.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number