furan-3-thione

C4H4OS — CID 19370942

IUPACfuran-3-thione
SMILESS=C1C=COC1
InChIInChI=1S/C4H4OS/c6-4-1-2-5-3-4/h1-2H,3H2
InChIKeyCYAHAUPRKQBEGZ-UHFFFAOYSA-N
MW100.14 g/mol
LogP0.90
Rot. Bonds

About furan-3-thione

furan-3-thione (PubChem CID 19370942) has the molecular formula C4H4OS and a molecular weight of 100.14 g/mol. Its IUPAC name is furan-3-thione.

Molecular Properties

Compound Namefuran-3-thione
PubChem CID19370942
Molecular FormulaC4H4OS
Molecular Weight100.14 g/mol
Exact Mass100.00
IUPAC Namefuran-3-thione
SMILESS=C1C=COC1
InChIInChI=1S/C4H4OS/c6-4-1-2-5-3-4/h1-2H,3H2
InChIKeyCYAHAUPRKQBEGZ-UHFFFAOYSA-N
XLogP0.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-3-thione?
The IUPAC name of furan-3-thione (CID 19370942) is furan-3-thione.
What is the SMILES notation for furan-3-thione?
The canonical SMILES for furan-3-thione is S=C1C=COC1.
What is the InChIKey of furan-3-thione?
The InChIKey is CYAHAUPRKQBEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4OS/c6-4-1-2-5-3-4/h1-2H,3H2.
What are the key properties of furan-3-thione?
furan-3-thione has a molecular weight of 100.14 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-thione is sourced from PubChem (CID 19370942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).