2-quinazolin-4-ylsulfanylphenol

C14H10N2OS — CID 62026320

IUPAC2-quinazolin-4-ylsulfanylphenol
SMILESOc1ccccc1Sc1ncnc2ccccc12
InChIInChI=1S/C14H10N2OS/c17-12-7-3-4-8-13(12)18-14-10-5-1-2-6-11(10)15-9-16-14/h1-9,17H
InChIKeyWXESDJOSWYKITA-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.49
Rot. Bonds2

About 2-quinazolin-4-ylsulfanylphenol

2-quinazolin-4-ylsulfanylphenol (PubChem CID 62026320) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-quinazolin-4-ylsulfanylphenol.

Molecular Properties

Compound Name2-quinazolin-4-ylsulfanylphenol
PubChem CID62026320
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name2-quinazolin-4-ylsulfanylphenol
SMILESOc1ccccc1Sc1ncnc2ccccc12
InChIInChI=1S/C14H10N2OS/c17-12-7-3-4-8-13(12)18-14-10-5-1-2-6-11(10)15-9-16-14/h1-9,17H
InChIKeyWXESDJOSWYKITA-UHFFFAOYSA-N
XLogP3.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-ylsulfanylphenol?
The IUPAC name of 2-quinazolin-4-ylsulfanylphenol (CID 62026320) is 2-quinazolin-4-ylsulfanylphenol.
What is the SMILES notation for 2-quinazolin-4-ylsulfanylphenol?
The canonical SMILES for 2-quinazolin-4-ylsulfanylphenol is Oc1ccccc1Sc1ncnc2ccccc12.
What is the InChIKey of 2-quinazolin-4-ylsulfanylphenol?
The InChIKey is WXESDJOSWYKITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-12-7-3-4-8-13(12)18-14-10-5-1-2-6-11(10)15-9-16-14/h1-9,17H.
What are the key properties of 2-quinazolin-4-ylsulfanylphenol?
2-quinazolin-4-ylsulfanylphenol has a molecular weight of 254.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-ylsulfanylphenol is sourced from PubChem (CID 62026320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).