| CAS Number | 155960-93-3 |
| Catalog Number | AG01BB8E(AGN-PC-0N3FDN) |
| Chemical Name | 4-chloro-6-(methylsulfanyl)quinazoline |
| IUPAC Name | 4-chloro-6-methylsulfanylquinazoline |
| InChI | InChI=1S/C9H7ClN2S/c1-13-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3 |
| InChI Key | NWMNIOBPSAXMMY-UHFFFAOYSA-N |
| MDL Number | MFCD20257990 |
| Molecular Formula | C9H7ClN2S |
| Molecular Weight | 210.6833 |
| SMILES | CSC1=CC2=C(N=CN=C2Cl)C=C1 |
| Synonyms | 4-chloro-6-(methylsulfanyl)quinazoline,
155960-93-3,
4-chloro-6-(methylthio)quinazoline,
SCHEMBL4006123,
4-chloro-6-methylthioquinazoline,
NWMNIOBPSAXMMY-UHFFFAOYSA-N,
ZINC38673289,
4-chloro-6-methylsulfanyl-quinazoline,
CID10375845,
Quinazoline, 4-chloro-6-(methylthio)-,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.001847g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.68g/mol |
| Monoisotopic Mass | 210.001847g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number