2-Mercapto-3-(4-methylcyclohexyl)quinazolin-4(3H)-one - CAS 690683-99-9
Catalog: |
BB047722 |
Product Name: |
2-Mercapto-3-(4-methylcyclohexyl)quinazolin-4(3H)-one |
CAS: |
690683-99-9 |
Synonyms: |
3-(4-methylcyclohexyl)-2-sulfanyl-3-hydroquinazolin-4-one; 3-(4-methylcyclohexyl)-2-sulfanyl-4(3H)-quinazolinone |
IUPAC Name: | 3-(4-methylcyclohexyl)-2-sulfanylidene-1H-quinazolin-4-one |
Description: | 2-Mercapto-3-(4-methylcyclohexyl)quinazolin-4(3H)-one (CAS# 690683-99-9 ) is a useful research chemical. |
Molecular Weight: | 274.38 |
Molecular Formula: | C15H18N2OS |
Canonical SMILES: | CC1CCC(CC1)N2C(=O)C3=CC=CC=C3NC2=S |
InChI: | InChI=1S/C15H18N2OS/c1-10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)16-15(17)19/h2-5,10-11H,6-9H2,1H3,(H,16,19) |
InChI Key: | ODTOLAGVQAXYAV-UHFFFAOYSA-N |
Complexity: | 376 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.11398438 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.11398438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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