3-methyl-2-methylsulfinylfuran

C6H8O2S — CID 59552930

IUPAC3-methyl-2-methylsulfinylfuran
SMILESCc1ccoc1S(C)=O
InChIInChI=1S/C6H8O2S/c1-5-3-4-8-6(5)9(2)7/h3-4H,1-2H3
InChIKeyBUDHESPHHVVDID-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.33
Rot. Bonds1

About 3-methyl-2-methylsulfinylfuran

3-methyl-2-methylsulfinylfuran (PubChem CID 59552930) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-methyl-2-methylsulfinylfuran.

Molecular Properties

Compound Name3-methyl-2-methylsulfinylfuran
PubChem CID59552930
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name3-methyl-2-methylsulfinylfuran
SMILESCc1ccoc1S(C)=O
InChIInChI=1S/C6H8O2S/c1-5-3-4-8-6(5)9(2)7/h3-4H,1-2H3
InChIKeyBUDHESPHHVVDID-UHFFFAOYSA-N
XLogP1.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfinylfuran?
The IUPAC name of 3-methyl-2-methylsulfinylfuran (CID 59552930) is 3-methyl-2-methylsulfinylfuran.
What is the SMILES notation for 3-methyl-2-methylsulfinylfuran?
The canonical SMILES for 3-methyl-2-methylsulfinylfuran is Cc1ccoc1S(C)=O.
What is the InChIKey of 3-methyl-2-methylsulfinylfuran?
The InChIKey is BUDHESPHHVVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2S/c1-5-3-4-8-6(5)9(2)7/h3-4H,1-2H3.
What are the key properties of 3-methyl-2-methylsulfinylfuran?
3-methyl-2-methylsulfinylfuran has a molecular weight of 144.19 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfinylfuran is sourced from PubChem (CID 59552930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).