2,5-bis(ethylsulfonyl)thiophene

C8H12O4S3 — CID 678404

IUPAC2,5-bis(ethylsulfonyl)thiophene
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1
InChIInChI=1S/C8H12O4S3/c1-3-14(9,10)7-5-6-8(13-7)15(11,12)4-2/h5-6H,3-4H2,1-2H3
InChIKeyAPNJKCIWFNJLTA-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.34
Rot. Bonds4

About 2,5-bis(ethylsulfonyl)thiophene

2,5-bis(ethylsulfonyl)thiophene (PubChem CID 678404) has the molecular formula C8H12O4S3 and a molecular weight of 268.38 g/mol. Its IUPAC name is 2,5-bis(ethylsulfonyl)thiophene.

Molecular Properties

Compound Name2,5-bis(ethylsulfonyl)thiophene
PubChem CID678404
Molecular FormulaC8H12O4S3
Molecular Weight268.38 g/mol
Exact Mass267.99
IUPAC Name2,5-bis(ethylsulfonyl)thiophene
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1
InChIInChI=1S/C8H12O4S3/c1-3-14(9,10)7-5-6-8(13-7)15(11,12)4-2/h5-6H,3-4H2,1-2H3
InChIKeyAPNJKCIWFNJLTA-UHFFFAOYSA-N
XLogP1.34
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethylsulfonyl)thiophene?
The IUPAC name of 2,5-bis(ethylsulfonyl)thiophene (CID 678404) is 2,5-bis(ethylsulfonyl)thiophene.
What is the SMILES notation for 2,5-bis(ethylsulfonyl)thiophene?
The canonical SMILES for 2,5-bis(ethylsulfonyl)thiophene is CCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1.
What is the InChIKey of 2,5-bis(ethylsulfonyl)thiophene?
The InChIKey is APNJKCIWFNJLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4S3/c1-3-14(9,10)7-5-6-8(13-7)15(11,12)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-bis(ethylsulfonyl)thiophene?
2,5-bis(ethylsulfonyl)thiophene has a molecular weight of 268.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethylsulfonyl)thiophene is sourced from PubChem (CID 678404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).