2-methylsulfanyl-2,5-dihydrofuran

C5H8OS — CID 54192769

IUPAC2-methylsulfanyl-2,5-dihydrofuran
SMILESCSC1C=CCO1
InChIInChI=1S/C5H8OS/c1-7-5-3-2-4-6-5/h2-3,5H,4H2,1H3
InChIKeyPJRFIAGAQYZDFE-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.26
Rot. Bonds1

About 2-methylsulfanyl-2,5-dihydrofuran

2-methylsulfanyl-2,5-dihydrofuran (PubChem CID 54192769) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 2-methylsulfanyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-methylsulfanyl-2,5-dihydrofuran
PubChem CID54192769
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name2-methylsulfanyl-2,5-dihydrofuran
SMILESCSC1C=CCO1
InChIInChI=1S/C5H8OS/c1-7-5-3-2-4-6-5/h2-3,5H,4H2,1H3
InChIKeyPJRFIAGAQYZDFE-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-2,5-dihydrofuran?
The IUPAC name of 2-methylsulfanyl-2,5-dihydrofuran (CID 54192769) is 2-methylsulfanyl-2,5-dihydrofuran.
What is the SMILES notation for 2-methylsulfanyl-2,5-dihydrofuran?
The canonical SMILES for 2-methylsulfanyl-2,5-dihydrofuran is CSC1C=CCO1.
What is the InChIKey of 2-methylsulfanyl-2,5-dihydrofuran?
The InChIKey is PJRFIAGAQYZDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-7-5-3-2-4-6-5/h2-3,5H,4H2,1H3.
What are the key properties of 2-methylsulfanyl-2,5-dihydrofuran?
2-methylsulfanyl-2,5-dihydrofuran has a molecular weight of 116.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-2,5-dihydrofuran is sourced from PubChem (CID 54192769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).