2-methylsulfonyl-3-phenylmethoxythiophene

C12H12O3S2 — CID 23295706

IUPAC2-methylsulfonyl-3-phenylmethoxythiophene
SMILESCS(=O)(=O)c1sccc1OCc1ccccc1
InChIInChI=1S/C12H12O3S2/c1-17(13,14)12-11(7-8-16-12)15-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyZJYNLTOVMLKDDR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.73
Rot. Bonds4

About 2-methylsulfonyl-3-phenylmethoxythiophene

2-methylsulfonyl-3-phenylmethoxythiophene (PubChem CID 23295706) has the molecular formula C12H12O3S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methylsulfonyl-3-phenylmethoxythiophene.

Molecular Properties

Compound Name2-methylsulfonyl-3-phenylmethoxythiophene
PubChem CID23295706
Molecular FormulaC12H12O3S2
Molecular Weight268.36 g/mol
Exact Mass268.02
IUPAC Name2-methylsulfonyl-3-phenylmethoxythiophene
SMILESCS(=O)(=O)c1sccc1OCc1ccccc1
InChIInChI=1S/C12H12O3S2/c1-17(13,14)12-11(7-8-16-12)15-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyZJYNLTOVMLKDDR-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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-3-phenylmethoxythiophene?
The IUPAC name of 2-methylsulfonyl-3-phenylmethoxythiophene (CID 23295706) is 2-methylsulfonyl-3-phenylmethoxythiophene.
What is the SMILES notation for 2-methylsulfonyl-3-phenylmethoxythiophene?
The canonical SMILES for 2-methylsulfonyl-3-phenylmethoxythiophene is CS(=O)(=O)c1sccc1OCc1ccccc1.
What is the InChIKey of 2-methylsulfonyl-3-phenylmethoxythiophene?
The InChIKey is ZJYNLTOVMLKDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3S2/c1-17(13,14)12-11(7-8-16-12)15-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of 2-methylsulfonyl-3-phenylmethoxythiophene?
2-methylsulfonyl-3-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-3-phenylmethoxythiophene is sourced from PubChem (CID 23295706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).