2-(2-methylpropylsulfonyl)thiophene

C8H12O2S2 — CID 778809

IUPAC2-(2-methylpropylsulfonyl)thiophene
SMILESCC(C)CS(=O)(=O)c1cccs1
InChIInChI=1S/C8H12O2S2/c1-7(2)6-12(9,10)8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKeyCQEKYOBAHIDTOH-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.18
Rot. Bonds3

About 2-(2-methylpropylsulfonyl)thiophene

2-(2-methylpropylsulfonyl)thiophene (PubChem CID 778809) has the molecular formula C8H12O2S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)thiophene.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)thiophene
PubChem CID778809
Molecular FormulaC8H12O2S2
Molecular Weight204.32 g/mol
Exact Mass204.03
IUPAC Name2-(2-methylpropylsulfonyl)thiophene
SMILESCC(C)CS(=O)(=O)c1cccs1
InChIInChI=1S/C8H12O2S2/c1-7(2)6-12(9,10)8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKeyCQEKYOBAHIDTOH-UHFFFAOYSA-N
XLogP2.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)thiophene?
The IUPAC name of 2-(2-methylpropylsulfonyl)thiophene (CID 778809) is 2-(2-methylpropylsulfonyl)thiophene.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)thiophene?
The canonical SMILES for 2-(2-methylpropylsulfonyl)thiophene is CC(C)CS(=O)(=O)c1cccs1.
What is the InChIKey of 2-(2-methylpropylsulfonyl)thiophene?
The InChIKey is CQEKYOBAHIDTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S2/c1-7(2)6-12(9,10)8-4-3-5-11-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfonyl)thiophene?
2-(2-methylpropylsulfonyl)thiophene has a molecular weight of 204.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)thiophene is sourced from PubChem (CID 778809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).