3-benzylidene-2-benzofuran-1-thione

C15H10OS — CID 71400052

IUPAC3-benzylidene-2-benzofuran-1-thione
SMILESS=C1OC(=Cc2ccccc2)c2ccccc21
InChIInChI=1S/C15H10OS/c17-15-13-9-5-4-8-12(13)14(16-15)10-11-6-2-1-3-7-11/h1-10H
InChIKeyJRTUCQNOYUSDJE-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.89
Rot. Bonds1

About 3-benzylidene-2-benzofuran-1-thione

3-benzylidene-2-benzofuran-1-thione (PubChem CID 71400052) has the molecular formula C15H10OS and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-benzylidene-2-benzofuran-1-thione.

Molecular Properties

Compound Name3-benzylidene-2-benzofuran-1-thione
PubChem CID71400052
Molecular FormulaC15H10OS
Molecular Weight238.31 g/mol
Exact Mass238.05
IUPAC Name3-benzylidene-2-benzofuran-1-thione
SMILESS=C1OC(=Cc2ccccc2)c2ccccc21
InChIInChI=1S/C15H10OS/c17-15-13-9-5-4-8-12(13)14(16-15)10-11-6-2-1-3-7-11/h1-10H
InChIKeyJRTUCQNOYUSDJE-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-2-benzofuran-1-thione?
The IUPAC name of 3-benzylidene-2-benzofuran-1-thione (CID 71400052) is 3-benzylidene-2-benzofuran-1-thione.
What is the SMILES notation for 3-benzylidene-2-benzofuran-1-thione?
The canonical SMILES for 3-benzylidene-2-benzofuran-1-thione is S=C1OC(=Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-benzylidene-2-benzofuran-1-thione?
The InChIKey is JRTUCQNOYUSDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10OS/c17-15-13-9-5-4-8-12(13)14(16-15)10-11-6-2-1-3-7-11/h1-10H.
What are the key properties of 3-benzylidene-2-benzofuran-1-thione?
3-benzylidene-2-benzofuran-1-thione has a molecular weight of 238.31 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-2-benzofuran-1-thione is sourced from PubChem (CID 71400052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).