6-hydroxychromene-2-thione

C9H6O2S — CID 57386887

IUPAC6-hydroxychromene-2-thione
SMILESOc1ccc2oc(=S)ccc2c1
InChIInChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
InChIKeyFGHZVFOCIYABBE-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.87
Rot. Bonds

About 6-hydroxychromene-2-thione

6-hydroxychromene-2-thione (PubChem CID 57386887) has the molecular formula C9H6O2S and a molecular weight of 178.21 g/mol. Its IUPAC name is 6-hydroxychromene-2-thione.

Molecular Properties

Compound Name6-hydroxychromene-2-thione
PubChem CID57386887
Molecular FormulaC9H6O2S
Molecular Weight178.21 g/mol
Exact Mass178.01
IUPAC Name6-hydroxychromene-2-thione
SMILESOc1ccc2oc(=S)ccc2c1
InChIInChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
InChIKeyFGHZVFOCIYABBE-UHFFFAOYSA-N
XLogP2.87
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-hydroxychromene-2-thione 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 6-hydroxychromene-2-thione?
The IUPAC name of 6-hydroxychromene-2-thione (CID 57386887) is 6-hydroxychromene-2-thione.
What is the SMILES notation for 6-hydroxychromene-2-thione?
The canonical SMILES for 6-hydroxychromene-2-thione is Oc1ccc2oc(=S)ccc2c1.
What is the InChIKey of 6-hydroxychromene-2-thione?
The InChIKey is FGHZVFOCIYABBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H.
What are the key properties of 6-hydroxychromene-2-thione?
6-hydroxychromene-2-thione has a molecular weight of 178.21 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxychromene-2-thione is sourced from PubChem (CID 57386887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).