2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one - CAS 21599-35-9
Catalog: |
BB016998 |
Product Name: |
2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one |
CAS: |
21599-35-9 |
Synonyms: |
2-(methylthio)-7,8-dihydro-6H-quinazolin-5-one; 2-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one |
IUPAC Name: | 2-methylsulfanyl-7,8-dihydro-6H-quinazolin-5-one |
Description: | 2-(Methylthio)-7,8-dihydroquinazolin-5(6H)-one (CAS# 21599-35-9) is a useful research chemical. |
Molecular Weight: | 194.25 |
Molecular Formula: | C9H10N2OS |
Canonical SMILES: | CSC1=NC=C2C(=N1)CCCC2=O |
InChI: | InChI=1S/C9H10N2OS/c1-13-9-10-5-6-7(11-9)3-2-4-8(6)12/h5H,2-4H2,1H3 |
InChI Key: | CBDXJNWTFCTGSP-UHFFFAOYSA-N |
LogP: | 1.71750 |
Publication Number | Title | Priority Date |
WO-2021146543-A1 | Inhibitors of glucose-6-phosphate dehydrogenase and uses thereof | 20200115 |
CN-108484606-B | Pyrimido [4,5-f ] quinazoline compound and application thereof | 20180316 |
AU-2009335016-A1 | Substituted pyrazolo [3, 4-b] pyridine compounds | 20081230 |
CA-2748276-A1 | Substituted pyrazolo [3, 4-b] pyridine compounds | 20081230 |
EP-2379551-A1 | Substituted pyrazolo [3, 4-b]pyridine compounds | 20081230 |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.05138412 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.05138412 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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