3-methoxy-2H-furan-5-thione

C5H6O2S — CID 86101897

IUPAC3-methoxy-2H-furan-5-thione
SMILESCOC1=CC(=S)OC1
InChIInChI=1S/C5H6O2S/c1-6-4-2-5(8)7-3-4/h2H,3H2,1H3
InChIKeyJAEQRHHIMPMWNX-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.87
Rot. Bonds1

About 3-methoxy-2H-furan-5-thione

3-methoxy-2H-furan-5-thione (PubChem CID 86101897) has the molecular formula C5H6O2S and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-methoxy-2H-furan-5-thione.

Molecular Properties

Compound Name3-methoxy-2H-furan-5-thione
PubChem CID86101897
Molecular FormulaC5H6O2S
Molecular Weight130.17 g/mol
Exact Mass130.01
IUPAC Name3-methoxy-2H-furan-5-thione
SMILESCOC1=CC(=S)OC1
InChIInChI=1S/C5H6O2S/c1-6-4-2-5(8)7-3-4/h2H,3H2,1H3
InChIKeyJAEQRHHIMPMWNX-UHFFFAOYSA-N
XLogP0.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2H-furan-5-thione?
The IUPAC name of 3-methoxy-2H-furan-5-thione (CID 86101897) is 3-methoxy-2H-furan-5-thione.
What is the SMILES notation for 3-methoxy-2H-furan-5-thione?
The canonical SMILES for 3-methoxy-2H-furan-5-thione is COC1=CC(=S)OC1.
What is the InChIKey of 3-methoxy-2H-furan-5-thione?
The InChIKey is JAEQRHHIMPMWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S/c1-6-4-2-5(8)7-3-4/h2H,3H2,1H3.
What are the key properties of 3-methoxy-2H-furan-5-thione?
3-methoxy-2H-furan-5-thione has a molecular weight of 130.17 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2H-furan-5-thione is sourced from PubChem (CID 86101897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).