2-ethylsulfonyl-5-iodothiophene

C6H7IO2S2 — CID 786878

IUPAC2-ethylsulfonyl-5-iodothiophene
SMILESCCS(=O)(=O)c1ccc(I)s1
InChIInChI=1S/C6H7IO2S2/c1-2-11(8,9)6-4-3-5(7)10-6/h3-4H,2H2,1H3
InChIKeyKTTBOVPLFMROSL-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.15
Rot. Bonds2

About 2-ethylsulfonyl-5-iodothiophene

2-ethylsulfonyl-5-iodothiophene (PubChem CID 786878) has the molecular formula C6H7IO2S2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-iodothiophene.

Molecular Properties

Compound Name2-ethylsulfonyl-5-iodothiophene
PubChem CID786878
Molecular FormulaC6H7IO2S2
Molecular Weight302.16 g/mol
Exact Mass301.89
IUPAC Name2-ethylsulfonyl-5-iodothiophene
SMILESCCS(=O)(=O)c1ccc(I)s1
InChIInChI=1S/C6H7IO2S2/c1-2-11(8,9)6-4-3-5(7)10-6/h3-4H,2H2,1H3
InChIKeyKTTBOVPLFMROSL-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-iodothiophene?
The IUPAC name of 2-ethylsulfonyl-5-iodothiophene (CID 786878) is 2-ethylsulfonyl-5-iodothiophene.
What is the SMILES notation for 2-ethylsulfonyl-5-iodothiophene?
The canonical SMILES for 2-ethylsulfonyl-5-iodothiophene is CCS(=O)(=O)c1ccc(I)s1.
What is the InChIKey of 2-ethylsulfonyl-5-iodothiophene?
The InChIKey is KTTBOVPLFMROSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IO2S2/c1-2-11(8,9)6-4-3-5(7)10-6/h3-4H,2H2,1H3.
What are the key properties of 2-ethylsulfonyl-5-iodothiophene?
2-ethylsulfonyl-5-iodothiophene has a molecular weight of 302.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-iodothiophene is sourced from PubChem (CID 786878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).