2-chloro-5-methylsulfonylthiophene

C5H5ClO2S2 — CID 21340881

IUPAC2-chloro-5-methylsulfonylthiophene
SMILESCS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C5H5ClO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3
InChIKeyQDAMGAJPTWMCGN-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.80
Rot. Bonds1

About 2-chloro-5-methylsulfonylthiophene

2-chloro-5-methylsulfonylthiophene (PubChem CID 21340881) has the molecular formula C5H5ClO2S2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonylthiophene.

Molecular Properties

Compound Name2-chloro-5-methylsulfonylthiophene
PubChem CID21340881
Molecular FormulaC5H5ClO2S2
Molecular Weight196.68 g/mol
Exact Mass195.94
IUPAC Name2-chloro-5-methylsulfonylthiophene
SMILESCS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C5H5ClO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3
InChIKeyQDAMGAJPTWMCGN-UHFFFAOYSA-N
XLogP1.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonylthiophene?
The IUPAC name of 2-chloro-5-methylsulfonylthiophene (CID 21340881) is 2-chloro-5-methylsulfonylthiophene.
What is the SMILES notation for 2-chloro-5-methylsulfonylthiophene?
The canonical SMILES for 2-chloro-5-methylsulfonylthiophene is CS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-methylsulfonylthiophene?
The InChIKey is QDAMGAJPTWMCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3.
What are the key properties of 2-chloro-5-methylsulfonylthiophene?
2-chloro-5-methylsulfonylthiophene has a molecular weight of 196.68 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonylthiophene is sourced from PubChem (CID 21340881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).