2-(3-methylquinoxalin-2-yl)sulfanylphenol

C15H12N2OS — CID 55067487

IUPAC2-(3-methylquinoxalin-2-yl)sulfanylphenol
SMILESCc1nc2ccccc2nc1Sc1ccccc1O
InChIInChI=1S/C15H12N2OS/c1-10-15(19-14-9-5-4-8-13(14)18)17-12-7-3-2-6-11(12)16-10/h2-9,18H,1H3
InChIKeyNVIKIXXOZAFJMC-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.80
Rot. Bonds2

About 2-(3-methylquinoxalin-2-yl)sulfanylphenol

2-(3-methylquinoxalin-2-yl)sulfanylphenol (PubChem CID 55067487) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)sulfanylphenol.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)sulfanylphenol
PubChem CID55067487
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name2-(3-methylquinoxalin-2-yl)sulfanylphenol
SMILESCc1nc2ccccc2nc1Sc1ccccc1O
InChIInChI=1S/C15H12N2OS/c1-10-15(19-14-9-5-4-8-13(14)18)17-12-7-3-2-6-11(12)16-10/h2-9,18H,1H3
InChIKeyNVIKIXXOZAFJMC-UHFFFAOYSA-N
XLogP3.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanylphenol?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)sulfanylphenol (CID 55067487) is 2-(3-methylquinoxalin-2-yl)sulfanylphenol.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)sulfanylphenol?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)sulfanylphenol is Cc1nc2ccccc2nc1Sc1ccccc1O.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)sulfanylphenol?
The InChIKey is NVIKIXXOZAFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-15(19-14-9-5-4-8-13(14)18)17-12-7-3-2-6-11(12)16-10/h2-9,18H,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)sulfanylphenol?
2-(3-methylquinoxalin-2-yl)sulfanylphenol has a molecular weight of 268.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)sulfanylphenol is sourced from PubChem (CID 55067487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).