2-methyl-3-methylsulfonylfuran

C6H8O3S — CID 59742705

IUPAC2-methyl-3-methylsulfonylfuran
SMILESCc1occc1S(C)(=O)=O
InChIInChI=1S/C6H8O3S/c1-5-6(3-4-9-5)10(2,7)8/h3-4H,1-2H3
InChIKeyDQPSWDYHWQZIKG-UHFFFAOYSA-N
MW160.19 g/mol
LogP0.99
Rot. Bonds1

About 2-methyl-3-methylsulfonylfuran

2-methyl-3-methylsulfonylfuran (PubChem CID 59742705) has the molecular formula C6H8O3S and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonylfuran.

Molecular Properties

Compound Name2-methyl-3-methylsulfonylfuran
PubChem CID59742705
Molecular FormulaC6H8O3S
Molecular Weight160.19 g/mol
Exact Mass160.02
IUPAC Name2-methyl-3-methylsulfonylfuran
SMILESCc1occc1S(C)(=O)=O
InChIInChI=1S/C6H8O3S/c1-5-6(3-4-9-5)10(2,7)8/h3-4H,1-2H3
InChIKeyDQPSWDYHWQZIKG-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonylfuran?
The IUPAC name of 2-methyl-3-methylsulfonylfuran (CID 59742705) is 2-methyl-3-methylsulfonylfuran.
What is the SMILES notation for 2-methyl-3-methylsulfonylfuran?
The canonical SMILES for 2-methyl-3-methylsulfonylfuran is Cc1occc1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonylfuran?
The InChIKey is DQPSWDYHWQZIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3S/c1-5-6(3-4-9-5)10(2,7)8/h3-4H,1-2H3.
What are the key properties of 2-methyl-3-methylsulfonylfuran?
2-methyl-3-methylsulfonylfuran has a molecular weight of 160.19 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonylfuran is sourced from PubChem (CID 59742705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).