3-Allyl-7-chloro-2-mercapto-3H-quinazolin-4-one
7-chloro-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-Allyl-7-chloro-2-mercaptoquinazolin-4(3H)-one|3-Allyl-7-chloro-2-mercapto-3H-quinazolin-4-one|2-Chloro-6-methylthiophenol|7-chloro-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one|7-chloro-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one|3-allyl-7-chloro-2-thioxo-1H-quinazolin-4-one|7-chloro-3-prop-2-enyl-2-sulfanyl-3-hydroquinazolin-4-one|3-allyl-7-chloro-2-thioxo-2,3-dihydro-1H-quinazolin-4-one|7-chloro-4-hydroxy-3-(prop-2-en-1-yl)quinazoline-2-thione|4(1H)-Quinazolinone,7-chloro-2,3-dihydro-3-(2-propen-1-yl)-2-thioxo-|7-chloro-3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one|7-Chloro-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C11H9ClN2OS |
|---|---|
| Molecular Weight | 252.0124 g/mol |
| LogP | 2.89849 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.0124 |
| Monoisotopic Mass | 252.0124 |
| Heavy Atoms | 16 |
| Complexity | 671.71936 |
Chemical Identifiers
| CAS Number | 91063-29-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C=C(C=C2)Cl)NC1=S |
Product Overview
3-Allyl-7-chloro-2-mercapto-3H-quinazolin-4-one (CAS 91063-29-5), with molecular formula C11H9ClN2OS and molecular weight 252.0124 g/mol. IUPAC: 7-chloro-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one.