2,5-bis(methylsulfonyl)thiophene

C6H8O4S3 — CID 1281017

IUPAC2,5-bis(methylsulfonyl)thiophene
SMILESCS(=O)(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C6H8O4S3/c1-12(7,8)5-3-4-6(11-5)13(2,9)10/h3-4H,1-2H3
InChIKeyHKESGYJYIYVPAK-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.56
Rot. Bonds2

About 2,5-bis(methylsulfonyl)thiophene

2,5-bis(methylsulfonyl)thiophene (PubChem CID 1281017) has the molecular formula C6H8O4S3 and a molecular weight of 240.33 g/mol. Its IUPAC name is 2,5-bis(methylsulfonyl)thiophene.

Molecular Properties

Compound Name2,5-bis(methylsulfonyl)thiophene
PubChem CID1281017
Molecular FormulaC6H8O4S3
Molecular Weight240.33 g/mol
Exact Mass239.96
IUPAC Name2,5-bis(methylsulfonyl)thiophene
SMILESCS(=O)(=O)c1ccc(S(C)(=O)=O)s1
InChIInChI=1S/C6H8O4S3/c1-12(7,8)5-3-4-6(11-5)13(2,9)10/h3-4H,1-2H3
InChIKeyHKESGYJYIYVPAK-UHFFFAOYSA-N
XLogP0.56
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Thiophenesulfonamide
CID 72881
2-Thiophenesulfonyl chloride
CID 85518
2-Methylsulfonylthiophene
CID 707933
3-(Methylsulfonyl)thiophene
CID 248648
Thiophene-3-sulfonyl Chloride
CID 2776378
5-Iodothiophene-2-sulfonyl chloride
CID 13425715
Thiophene-2-sulfonyl fluoride
CID 19098976
Sodium thiophene-2-sulfinate
CID 23674657
2,5-Bis(ethylsulfonyl)thiophene
CID 678404
2,5-Bis(tert-butylsulfonyl)thiophene
CID 726435
Thiophene-2-sulfonic acid
CID 165170
2-Thiophenesulfonic acid, sodium salt
CID 23673643

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(methylsulfonyl)thiophene?
The IUPAC name of 2,5-bis(methylsulfonyl)thiophene (CID 1281017) is 2,5-bis(methylsulfonyl)thiophene.
What is the SMILES notation for 2,5-bis(methylsulfonyl)thiophene?
The canonical SMILES for 2,5-bis(methylsulfonyl)thiophene is CS(=O)(=O)c1ccc(S(C)(=O)=O)s1.
What is the InChIKey of 2,5-bis(methylsulfonyl)thiophene?
The InChIKey is HKESGYJYIYVPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4S3/c1-12(7,8)5-3-4-6(11-5)13(2,9)10/h3-4H,1-2H3.
What are the key properties of 2,5-bis(methylsulfonyl)thiophene?
2,5-bis(methylsulfonyl)thiophene has a molecular weight of 240.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(methylsulfonyl)thiophene is sourced from PubChem (CID 1281017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).