2-methyl-3-methylsulfanylfuran

C6H8OS — CID 526618

IUPAC2-methyl-3-methylsulfanylfuran
SMILESCSc1ccoc1C
InChIInChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3
InChIKeyOQVAOEIMSKZGAL-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.31
Rot. Bonds1

About 2-methyl-3-methylsulfanylfuran

2-methyl-3-methylsulfanylfuran (PubChem CID 526618) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanylfuran.

Molecular Properties

Compound Name2-methyl-3-methylsulfanylfuran
PubChem CID526618
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name2-methyl-3-methylsulfanylfuran
SMILESCSc1ccoc1C
InChIInChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3
InChIKeyOQVAOEIMSKZGAL-UHFFFAOYSA-N
XLogP2.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-methylsulfanylfuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanylfuran?
The IUPAC name of 2-methyl-3-methylsulfanylfuran (CID 526618) is 2-methyl-3-methylsulfanylfuran.
What is the SMILES notation for 2-methyl-3-methylsulfanylfuran?
The canonical SMILES for 2-methyl-3-methylsulfanylfuran is CSc1ccoc1C.
What is the InChIKey of 2-methyl-3-methylsulfanylfuran?
The InChIKey is OQVAOEIMSKZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-5-6(8-2)3-4-7-5/h3-4H,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanylfuran?
2-methyl-3-methylsulfanylfuran has a molecular weight of 128.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanylfuran is sourced from PubChem (CID 526618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).