3-phenyl-3H-2-benzofuran-1-thione

C14H10OS — CID 3321861

IUPAC3-phenyl-3H-2-benzofuran-1-thione
SMILESS=C1OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C14H10OS/c16-14-12-9-5-4-8-11(12)13(15-14)10-6-2-1-3-7-10/h1-9,13H
InChIKeyRNCSPIDDRUOJCL-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.48
Rot. Bonds1

About 3-phenyl-3H-2-benzofuran-1-thione

3-phenyl-3H-2-benzofuran-1-thione (PubChem CID 3321861) has the molecular formula C14H10OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-phenyl-3H-2-benzofuran-1-thione.

Molecular Properties

Compound Name3-phenyl-3H-2-benzofuran-1-thione
PubChem CID3321861
Molecular FormulaC14H10OS
Molecular Weight226.30 g/mol
Exact Mass226.05
IUPAC Name3-phenyl-3H-2-benzofuran-1-thione
SMILESS=C1OC(c2ccccc2)c2ccccc21
InChIInChI=1S/C14H10OS/c16-14-12-9-5-4-8-11(12)13(15-14)10-6-2-1-3-7-10/h1-9,13H
InChIKeyRNCSPIDDRUOJCL-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenyl-3H-2-benzofuran-1-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 3-phenyl-3H-2-benzofuran-1-thione?
The IUPAC name of 3-phenyl-3H-2-benzofuran-1-thione (CID 3321861) is 3-phenyl-3H-2-benzofuran-1-thione.
What is the SMILES notation for 3-phenyl-3H-2-benzofuran-1-thione?
The canonical SMILES for 3-phenyl-3H-2-benzofuran-1-thione is S=C1OC(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-phenyl-3H-2-benzofuran-1-thione?
The InChIKey is RNCSPIDDRUOJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS/c16-14-12-9-5-4-8-11(12)13(15-14)10-6-2-1-3-7-10/h1-9,13H.
What are the key properties of 3-phenyl-3H-2-benzofuran-1-thione?
3-phenyl-3H-2-benzofuran-1-thione has a molecular weight of 226.30 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3H-2-benzofuran-1-thione is sourced from PubChem (CID 3321861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).