2-(3-methylsulfonylphenyl)thiophene

C11H10O2S2 — CID 141164326

IUPAC2-(3-methylsulfonylphenyl)thiophene
SMILESCS(=O)(=O)c1cccc(-c2cccs2)c1
InChIInChI=1S/C11H10O2S2/c1-15(12,13)10-5-2-4-9(8-10)11-6-3-7-14-11/h2-8H,1H3
InChIKeyNTZRBZFIZRNWBL-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.82
Rot. Bonds2

About 2-(3-methylsulfonylphenyl)thiophene

2-(3-methylsulfonylphenyl)thiophene (PubChem CID 141164326) has the molecular formula C11H10O2S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-methylsulfonylphenyl)thiophene.

Molecular Properties

Compound Name2-(3-methylsulfonylphenyl)thiophene
PubChem CID141164326
Molecular FormulaC11H10O2S2
Molecular Weight238.33 g/mol
Exact Mass238.01
IUPAC Name2-(3-methylsulfonylphenyl)thiophene
SMILESCS(=O)(=O)c1cccc(-c2cccs2)c1
InChIInChI=1S/C11H10O2S2/c1-15(12,13)10-5-2-4-9(8-10)11-6-3-7-14-11/h2-8H,1H3
InChIKeyNTZRBZFIZRNWBL-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-thiophen-2-ylbenzenesulfonate
CID 174847423
4-bromo-2-(3-methylsulfonylphenyl)thiophene
CID 68877839
ethane;2-(3-methylphenyl)thiophene
CID 143181554
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
[5-(3-methylsulfonylphenyl)thiophen-2-yl]methanamine
CID 159006983
5-(3-methylsulfonylphenyl)thiophene-2-carboxylic acid
CID 53486055
2-(3-fluorophenyl)thiophene
CID 22486407
2-(3-propan-2-ylphenyl)thiophene
CID 57011596
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
2-oxo-2-(3-thiophen-2-ylphenyl)acetaldehyde
CID 175780722
2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylphenyl)thiophene?
The IUPAC name of 2-(3-methylsulfonylphenyl)thiophene (CID 141164326) is 2-(3-methylsulfonylphenyl)thiophene.
What is the SMILES notation for 2-(3-methylsulfonylphenyl)thiophene?
The canonical SMILES for 2-(3-methylsulfonylphenyl)thiophene is CS(=O)(=O)c1cccc(-c2cccs2)c1.
What is the InChIKey of 2-(3-methylsulfonylphenyl)thiophene?
The InChIKey is NTZRBZFIZRNWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S2/c1-15(12,13)10-5-2-4-9(8-10)11-6-3-7-14-11/h2-8H,1H3.
What are the key properties of 2-(3-methylsulfonylphenyl)thiophene?
2-(3-methylsulfonylphenyl)thiophene has a molecular weight of 238.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylphenyl)thiophene is sourced from PubChem (CID 141164326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).