2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one

C10H12N2OS2 — CID 166107142

IUPAC2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCSc1nc2c(c(SC)n1)C(=O)CCC2
InChIInChI=1S/C10H12N2OS2/c1-14-9-8-6(4-3-5-7(8)13)11-10(12-9)15-2/h3-5H2,1-2H3
InChIKeyCDFYRGFIAWAWFS-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.44
Rot. Bonds2

About 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one

2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 166107142) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID166107142
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCSc1nc2c(c(SC)n1)C(=O)CCC2
InChIInChI=1S/C10H12N2OS2/c1-14-9-8-6(4-3-5-7(8)13)11-10(12-9)15-2/h3-5H2,1-2H3
InChIKeyCDFYRGFIAWAWFS-UHFFFAOYSA-N
XLogP2.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one (CID 166107142) is 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one is CSc1nc2c(c(SC)n1)C(=O)CCC2.
What is the InChIKey of 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is CDFYRGFIAWAWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-14-9-8-6(4-3-5-7(8)13)11-10(12-9)15-2/h3-5H2,1-2H3.
What are the key properties of 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one?
2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 240.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfanyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 166107142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).