3-(methylsulfanylmethyl)furan

C6H8OS — CID 15274801

IUPAC3-(methylsulfanylmethyl)furan
SMILESCSCc1ccoc1
InChIInChI=1S/C6H8OS/c1-8-5-6-2-3-7-4-6/h2-4H,5H2,1H3
InChIKeyQMDWXIARGAQRDV-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.14
Rot. Bonds2

About 3-(methylsulfanylmethyl)furan

3-(methylsulfanylmethyl)furan (PubChem CID 15274801) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)furan.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)furan
PubChem CID15274801
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name3-(methylsulfanylmethyl)furan
SMILESCSCc1ccoc1
InChIInChI=1S/C6H8OS/c1-8-5-6-2-3-7-4-6/h2-4H,5H2,1H3
InChIKeyQMDWXIARGAQRDV-UHFFFAOYSA-N
XLogP2.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)furan?
The IUPAC name of 3-(methylsulfanylmethyl)furan (CID 15274801) is 3-(methylsulfanylmethyl)furan.
What is the SMILES notation for 3-(methylsulfanylmethyl)furan?
The canonical SMILES for 3-(methylsulfanylmethyl)furan is CSCc1ccoc1.
What is the InChIKey of 3-(methylsulfanylmethyl)furan?
The InChIKey is QMDWXIARGAQRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-8-5-6-2-3-7-4-6/h2-4H,5H2,1H3.
What are the key properties of 3-(methylsulfanylmethyl)furan?
3-(methylsulfanylmethyl)furan has a molecular weight of 128.20 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)furan is sourced from PubChem (CID 15274801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).