2-methylsulfonyl-4-phenylmethoxythiophene

C12H12O3S2 — CID 15477101

IUPAC2-methylsulfonyl-4-phenylmethoxythiophene
SMILESCS(=O)(=O)c1cc(OCc2ccccc2)cs1
InChIInChI=1S/C12H12O3S2/c1-17(13,14)12-7-11(9-16-12)15-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyBBNNOIIJJCFFCI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.73
Rot. Bonds4

About 2-methylsulfonyl-4-phenylmethoxythiophene

2-methylsulfonyl-4-phenylmethoxythiophene (PubChem CID 15477101) has the molecular formula C12H12O3S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methylsulfonyl-4-phenylmethoxythiophene.

Molecular Properties

Compound Name2-methylsulfonyl-4-phenylmethoxythiophene
PubChem CID15477101
Molecular FormulaC12H12O3S2
Molecular Weight268.36 g/mol
Exact Mass268.02
IUPAC Name2-methylsulfonyl-4-phenylmethoxythiophene
SMILESCS(=O)(=O)c1cc(OCc2ccccc2)cs1
InChIInChI=1S/C12H12O3S2/c1-17(13,14)12-7-11(9-16-12)15-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyBBNNOIIJJCFFCI-UHFFFAOYSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfonyl-4-phenylmethoxythiophene 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-methylsulfonyl-4-phenylmethoxythiophene?
The IUPAC name of 2-methylsulfonyl-4-phenylmethoxythiophene (CID 15477101) is 2-methylsulfonyl-4-phenylmethoxythiophene.
What is the SMILES notation for 2-methylsulfonyl-4-phenylmethoxythiophene?
The canonical SMILES for 2-methylsulfonyl-4-phenylmethoxythiophene is CS(=O)(=O)c1cc(OCc2ccccc2)cs1.
What is the InChIKey of 2-methylsulfonyl-4-phenylmethoxythiophene?
The InChIKey is BBNNOIIJJCFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S2/c1-17(13,14)12-7-11(9-16-12)15-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3.
What are the key properties of 2-methylsulfonyl-4-phenylmethoxythiophene?
2-methylsulfonyl-4-phenylmethoxythiophene has a molecular weight of 268.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-phenylmethoxythiophene is sourced from PubChem (CID 15477101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).