2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene

C13H12O2S2 — CID 50908698

IUPAC2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene
SMILESCS(=O)(=O)c1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C13H12O2S2/c1-17(14,15)13-8-5-11(6-9-13)4-7-12-3-2-10-16-12/h2-10H,1H3/b7-4+
InChIKeyJTGRXCMSCWBAQN-QPJJXVBHSA-N
MW264.37 g/mol
LogP3.32
Rot. Bonds3

About 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene

2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene (PubChem CID 50908698) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene
PubChem CID50908698
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Name2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene
SMILESCS(=O)(=O)c1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C13H12O2S2/c1-17(14,15)13-8-5-11(6-9-13)4-7-12-3-2-10-16-12/h2-10H,1H3/b7-4+
InChIKeyJTGRXCMSCWBAQN-QPJJXVBHSA-N
XLogP3.32
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene?
The IUPAC name of 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene (CID 50908698) is 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene is CS(=O)(=O)c1ccc(/C=C/c2cccs2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene?
The InChIKey is JTGRXCMSCWBAQN-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H12O2S2/c1-17(14,15)13-8-5-11(6-9-13)4-7-12-3-2-10-16-12/h2-10H,1H3/b7-4+.
What are the key properties of 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene?
2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene has a molecular weight of 264.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene is sourced from PubChem (CID 50908698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).