1-sulfanylnaphthalen-2-ol

C10H8OS — CID 10877669

IUPAC1-sulfanylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1S
InChIInChI=1S/C10H8OS/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
InChIKeyQGKGHQPUCHEWMC-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.83
Rot. Bonds

About 1-sulfanylnaphthalen-2-ol

1-sulfanylnaphthalen-2-ol (PubChem CID 10877669) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 1-sulfanylnaphthalen-2-ol.

Molecular Properties

Compound Name1-sulfanylnaphthalen-2-ol
PubChem CID10877669
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name1-sulfanylnaphthalen-2-ol
SMILESOc1ccc2ccccc2c1S
InChIInChI=1S/C10H8OS/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
InChIKeyQGKGHQPUCHEWMC-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-sulfanylnaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylnaphthalen-2-ol?
The IUPAC name of 1-sulfanylnaphthalen-2-ol (CID 10877669) is 1-sulfanylnaphthalen-2-ol.
What is the SMILES notation for 1-sulfanylnaphthalen-2-ol?
The canonical SMILES for 1-sulfanylnaphthalen-2-ol is Oc1ccc2ccccc2c1S.
What is the InChIKey of 1-sulfanylnaphthalen-2-ol?
The InChIKey is QGKGHQPUCHEWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H.
What are the key properties of 1-sulfanylnaphthalen-2-ol?
1-sulfanylnaphthalen-2-ol has a molecular weight of 176.24 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylnaphthalen-2-ol is sourced from PubChem (CID 10877669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).