2-(4-methylphenyl)sulfanyl-1-benzofuran

C15H12OS — CID 132510325

IUPAC2-(4-methylphenyl)sulfanyl-1-benzofuran
SMILESCc1ccc(Sc2cc3ccccc3o2)cc1
InChIInChI=1S/C15H12OS/c1-11-6-8-13(9-7-11)17-15-10-12-4-2-3-5-14(12)16-15/h2-10H,1H3
InChIKeyRTPMBAMXMYJMCI-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.89
Rot. Bonds2

About 2-(4-methylphenyl)sulfanyl-1-benzofuran

2-(4-methylphenyl)sulfanyl-1-benzofuran (PubChem CID 132510325) has the molecular formula C15H12OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-benzofuran.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-benzofuran
PubChem CID132510325
Molecular FormulaC15H12OS
Molecular Weight240.33 g/mol
Exact Mass240.06
IUPAC Name2-(4-methylphenyl)sulfanyl-1-benzofuran
SMILESCc1ccc(Sc2cc3ccccc3o2)cc1
InChIInChI=1S/C15H12OS/c1-11-6-8-13(9-7-11)17-15-10-12-4-2-3-5-14(12)16-15/h2-10H,1H3
InChIKeyRTPMBAMXMYJMCI-UHFFFAOYSA-N
XLogP4.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)sulfanyl-1-benzofuran 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 2-(4-methylphenyl)sulfanyl-1-benzofuran?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-benzofuran (CID 132510325) is 2-(4-methylphenyl)sulfanyl-1-benzofuran.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-benzofuran?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-benzofuran is Cc1ccc(Sc2cc3ccccc3o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-benzofuran?
The InChIKey is RTPMBAMXMYJMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS/c1-11-6-8-13(9-7-11)17-15-10-12-4-2-3-5-14(12)16-15/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-benzofuran?
2-(4-methylphenyl)sulfanyl-1-benzofuran has a molecular weight of 240.33 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-benzofuran is sourced from PubChem (CID 132510325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).