3-Allyl-2-mercapto-3H-quinazolin-4-one
3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 3-Allyl-2-mercapto-3H-quinazolin-4-one|3-allyl-2-mercaptoquinazolin-4(3H)-one|ChemDiv3_002774|CHEMBRDG-BB 5727966|3-Allyl-2-mercapto-4(3H)-quinazolinone|3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one|3-allyl-2-sulfanyl-quinazolin-4-one|3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one|3-allyl-2-thioxo-1H-quinazolin-4-one|3-allyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one|NCGC00018516-01|NCGC00018516-02|NCGC00594614-02|2-mercapto-3-allyl-4(3H)-quinazolinone|BAS 00829311
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05139 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05139 |
| Monoisotopic Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 21263-59-2 |
|---|---|
| SMILES | C=CCN1C(=O)C2=CC=CC=C2NC1=S |
| InChIKey | SJUBWTIKDYWHEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Allyl-2-mercapto-3H-quinazolin-4-one (CAS 21263-59-2), with molecular formula C11H10N2OS and molecular weight 218.05139 g/mol. IUPAC: 3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one.
3-Allyl-2-mercapto-3H-quinazolin-4-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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