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

C13H12O2S2 — CID 52949357

IUPAC3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene
SMILESCS(=O)(=O)c1ccc(/C=C/c2ccsc2)cc1
InChIInChI=1S/C13H12O2S2/c1-17(14,15)13-6-4-11(5-7-13)2-3-12-8-9-16-10-12/h2-10H,1H3/b3-2+
InChIKeyHPDGNEAMPZEKTB-NSCUHMNNSA-N
MW264.37 g/mol
LogP3.32
Rot. Bonds3

About 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene

3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene (PubChem CID 52949357) has the molecular formula C13H12O2S2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene.

Molecular Properties

Compound Name3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene
PubChem CID52949357
Molecular FormulaC13H12O2S2
Molecular Weight264.37 g/mol
Exact Mass264.03
IUPAC Name3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene
SMILESCS(=O)(=O)c1ccc(/C=C/c2ccsc2)cc1
InChIInChI=1S/C13H12O2S2/c1-17(14,15)13-6-4-11(5-7-13)2-3-12-8-9-16-10-12/h2-10H,1H3/b3-2+
InChIKeyHPDGNEAMPZEKTB-NSCUHMNNSA-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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Related Compounds

(E)-2-(4-methylsulfonylphenyl)ethenesulfonamide
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CID 62841313
4-[2-(4-methylsulfonylphenyl)ethenyl]-N,N-bis(prop-2-enyl)aniline
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3-[(E)-but-1-enyl]thiophene
CID 15047169
3-[4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]propan-1-ol
CID 67905414
5-methylsulfonyl-2-thiophen-3-ylbenzaldehyde
CID 143013427
4-methylsulfonyl-N-(2-thiophen-3-ylethyl)aniline
CID 54954134
(E)-N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 10025410
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
4-methyl-1-thiophen-3-ylpent-1-en-3-one
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5-methyl-2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 146090273

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene?
The IUPAC name of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene (CID 52949357) is 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene.
What is the SMILES notation for 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene?
The canonical SMILES for 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene is CS(=O)(=O)c1ccc(/C=C/c2ccsc2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene?
The InChIKey is HPDGNEAMPZEKTB-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H12O2S2/c1-17(14,15)13-6-4-11(5-7-13)2-3-12-8-9-16-10-12/h2-10H,1H3/b3-2+.
What are the key properties of 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene?
3-[(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 3-[(E)-2-(4-methylsulfonylphenyl)ethenyl]thiophene is sourced from PubChem (CID 52949357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).