quinolin-7-ol;sulfane

C9H9NOS — CID 174825329

IUPACquinolin-7-ol;sulfane
SMILESOc1ccc2cccnc2c1.S
InChIInChI=1S/C9H7NO.H2S/c11-8-4-3-7-2-1-5-10-9(7)6-8;/h1-6,11H;1H2
InChIKeyIQXVEVPSNJPPTO-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.05
Rot. Bonds

About quinolin-7-ol;sulfane

quinolin-7-ol;sulfane (PubChem CID 174825329) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is quinolin-7-ol;sulfane.

Molecular Properties

Compound Namequinolin-7-ol;sulfane
PubChem CID174825329
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Namequinolin-7-ol;sulfane
SMILESOc1ccc2cccnc2c1.S
InChIInChI=1S/C9H7NO.H2S/c11-8-4-3-7-2-1-5-10-9(7)6-8;/h1-6,11H;1H2
InChIKeyIQXVEVPSNJPPTO-UHFFFAOYSA-N
XLogP2.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of quinolin-7-ol;sulfane?
The IUPAC name of quinolin-7-ol;sulfane (CID 174825329) is quinolin-7-ol;sulfane.
What is the SMILES notation for quinolin-7-ol;sulfane?
The canonical SMILES for quinolin-7-ol;sulfane is Oc1ccc2cccnc2c1.S.
What is the InChIKey of quinolin-7-ol;sulfane?
The InChIKey is IQXVEVPSNJPPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.H2S/c11-8-4-3-7-2-1-5-10-9(7)6-8;/h1-6,11H;1H2.
What are the key properties of quinolin-7-ol;sulfane?
quinolin-7-ol;sulfane has a molecular weight of 179.24 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-7-ol;sulfane is sourced from PubChem (CID 174825329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).