4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde

C10H6O2S2 — CID 136714159

IUPAC4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde
SMILESO=Cc1c(O)c2ccccc2sc1=S
InChIInChI=1S/C10H6O2S2/c11-5-7-9(12)6-3-1-2-4-8(6)14-10(7)13/h1-5,12H
InChIKeyLMARVPOBJNLKES-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.15
Rot. Bonds1

About 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde

4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde (PubChem CID 136714159) has the molecular formula C10H6O2S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde
PubChem CID136714159
Molecular FormulaC10H6O2S2
Molecular Weight222.29 g/mol
Exact Mass221.98
IUPAC Name4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde
SMILESO=Cc1c(O)c2ccccc2sc1=S
InChIInChI=1S/C10H6O2S2/c11-5-7-9(12)6-3-1-2-4-8(6)14-10(7)13/h1-5,12H
InChIKeyLMARVPOBJNLKES-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde 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 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde?
The IUPAC name of 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde (CID 136714159) is 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde.
What is the SMILES notation for 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde?
The canonical SMILES for 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde is O=Cc1c(O)c2ccccc2sc1=S.
What is the InChIKey of 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde?
The InChIKey is LMARVPOBJNLKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2S2/c11-5-7-9(12)6-3-1-2-4-8(6)14-10(7)13/h1-5,12H.
What are the key properties of 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde?
4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-sulfanylidenethiochromene-3-carbaldehyde is sourced from PubChem (CID 136714159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).