dibenzofuran-4-thiol

C12H8OS — CID 13144956

IUPACdibenzofuran-4-thiol
SMILESSc1cccc2c1oc1ccccc12
InChIInChI=1S/C12H8OS/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-7,14H
InChIKeyPDRFPOLGLQXCRD-UHFFFAOYSA-N
MW200.26 g/mol
LogP3.87
Rot. Bonds

About dibenzofuran-4-thiol

dibenzofuran-4-thiol (PubChem CID 13144956) has the molecular formula C12H8OS and a molecular weight of 200.26 g/mol. Its IUPAC name is dibenzofuran-4-thiol.

Molecular Properties

Compound Namedibenzofuran-4-thiol
PubChem CID13144956
Molecular FormulaC12H8OS
Molecular Weight200.26 g/mol
Exact Mass200.03
IUPAC Namedibenzofuran-4-thiol
SMILESSc1cccc2c1oc1ccccc12
InChIInChI=1S/C12H8OS/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-7,14H
InChIKeyPDRFPOLGLQXCRD-UHFFFAOYSA-N
XLogP3.87
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-4-thiol?
The IUPAC name of dibenzofuran-4-thiol (CID 13144956) is dibenzofuran-4-thiol.
What is the SMILES notation for dibenzofuran-4-thiol?
The canonical SMILES for dibenzofuran-4-thiol is Sc1cccc2c1oc1ccccc12.
What is the InChIKey of dibenzofuran-4-thiol?
The InChIKey is PDRFPOLGLQXCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8OS/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-7,14H.
What are the key properties of dibenzofuran-4-thiol?
dibenzofuran-4-thiol has a molecular weight of 200.26 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-4-thiol is sourced from PubChem (CID 13144956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).