2-bromo-5-(methylsulfonylmethyl)thiophene

C6H7BrO2S2 — CID 126998602

IUPAC2-bromo-5-(methylsulfonylmethyl)thiophene
SMILESCS(=O)(=O)Cc1ccc(Br)s1
InChIInChI=1S/C6H7BrO2S2/c1-11(8,9)4-5-2-3-6(7)10-5/h2-3H,4H2,1H3
InChIKeyLRMLBJNWKJWPQS-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.06
Rot. Bonds2

About 2-bromo-5-(methylsulfonylmethyl)thiophene

2-bromo-5-(methylsulfonylmethyl)thiophene (PubChem CID 126998602) has the molecular formula C6H7BrO2S2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-bromo-5-(methylsulfonylmethyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(methylsulfonylmethyl)thiophene
PubChem CID126998602
Molecular FormulaC6H7BrO2S2
Molecular Weight255.16 g/mol
Exact Mass253.91
IUPAC Name2-bromo-5-(methylsulfonylmethyl)thiophene
SMILESCS(=O)(=O)Cc1ccc(Br)s1
InChIInChI=1S/C6H7BrO2S2/c1-11(8,9)4-5-2-3-6(7)10-5/h2-3H,4H2,1H3
InChIKeyLRMLBJNWKJWPQS-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-(methylsulfonylmethyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylsulfonylmethyl)thiophene?
The IUPAC name of 2-bromo-5-(methylsulfonylmethyl)thiophene (CID 126998602) is 2-bromo-5-(methylsulfonylmethyl)thiophene.
What is the SMILES notation for 2-bromo-5-(methylsulfonylmethyl)thiophene?
The canonical SMILES for 2-bromo-5-(methylsulfonylmethyl)thiophene is CS(=O)(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(methylsulfonylmethyl)thiophene?
The InChIKey is LRMLBJNWKJWPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2S2/c1-11(8,9)4-5-2-3-6(7)10-5/h2-3H,4H2,1H3.
What are the key properties of 2-bromo-5-(methylsulfonylmethyl)thiophene?
2-bromo-5-(methylsulfonylmethyl)thiophene has a molecular weight of 255.16 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylsulfonylmethyl)thiophene is sourced from PubChem (CID 126998602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).