| CAS Number | 118449-36-8 |
| Catalog Number | AG019JAS(AGN-PC-0KBT2S) |
| Chemical Name | 7-chloro-3-(2-methylphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one |
| IUPAC Name | 7-chloro-3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one |
| InChI | InChI=1S/C15H11ClN2OS/c1-9-4-2-3-5-13(9)18-14(19)11-7-6-10(16)8-12(11)17-15(18)20/h2-8H,1H3,(H,17,20) |
| InChI Key | YNVCPEMGRHWAIS-UHFFFAOYSA-N |
| MDL Number | MFCD05264096 |
| Molecular Formula | C15H11ClN2OS |
| Molecular Weight | 302.7786 |
| SMILES | CC1=C(N2C(=O)C3=C(C=C(C=C3)Cl)N=C2S)C=CC=C1 |
| Synonyms | 7-chloro-3-(2-methylphenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one,
118449-36-8,
7-chloro-2-mercapto-3-(2-methylphenyl)quinazolin-4(3H)-one,
AC1M0L7E,
AC1Q2NS5,
CTK6H2094,
ZINC5928073,
AKOS034446337,
MCULE-4214366592,
NE33633,
EN300-09001,
Z55664123,
7-chloro-3-(2-methylphenyl)-2-sulfanylidene-1H-quinazolin-4-one,
ZINC02617012,
CID2078834,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.776g/mol |
| Monoisotopic Mass | 302.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number