3-methylsulfanylfuran

C5H6OS — CID 642099

IUPAC3-methylsulfanylfuran
SMILESCSc1ccoc1
InChIInChI=1S/C5H6OS/c1-7-5-2-3-6-4-5/h2-4H,1H3
InChIKeyFJDRTXLPXBTNES-UHFFFAOYSA-N
MW114.17 g/mol
LogP2.00
Rot. Bonds1

About 3-methylsulfanylfuran

3-methylsulfanylfuran (PubChem CID 642099) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is 3-methylsulfanylfuran.

Molecular Properties

Compound Name3-methylsulfanylfuran
PubChem CID642099
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Name3-methylsulfanylfuran
SMILESCSc1ccoc1
InChIInChI=1S/C5H6OS/c1-7-5-2-3-6-4-5/h2-4H,1H3
InChIKeyFJDRTXLPXBTNES-UHFFFAOYSA-N
XLogP2.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylfuran?
The IUPAC name of 3-methylsulfanylfuran (CID 642099) is 3-methylsulfanylfuran.
What is the SMILES notation for 3-methylsulfanylfuran?
The canonical SMILES for 3-methylsulfanylfuran is CSc1ccoc1.
What is the InChIKey of 3-methylsulfanylfuran?
The InChIKey is FJDRTXLPXBTNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c1-7-5-2-3-6-4-5/h2-4H,1H3.
What are the key properties of 3-methylsulfanylfuran?
3-methylsulfanylfuran has a molecular weight of 114.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylfuran is sourced from PubChem (CID 642099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).