3H-furan-2-thione

C4H4OS — CID 87475956

IUPAC3H-furan-2-thione
SMILESS=C1CC=CO1
InChIInChI=1S/C4H4OS/c6-4-2-1-3-5-4/h1,3H,2H2
InChIKeyCEMVEOYUFZPWCY-UHFFFAOYSA-N
MW100.14 g/mol
LogP1.25
Rot. Bonds

About 3H-furan-2-thione

3H-furan-2-thione (PubChem CID 87475956) has the molecular formula C4H4OS and a molecular weight of 100.14 g/mol. Its IUPAC name is 3H-furan-2-thione.

Molecular Properties

Compound Name3H-furan-2-thione
PubChem CID87475956
Molecular FormulaC4H4OS
Molecular Weight100.14 g/mol
Exact Mass100.00
IUPAC Name3H-furan-2-thione
SMILESS=C1CC=CO1
InChIInChI=1S/C4H4OS/c6-4-2-1-3-5-4/h1,3H,2H2
InChIKeyCEMVEOYUFZPWCY-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3H-furan-2-thione?
The IUPAC name of 3H-furan-2-thione (CID 87475956) is 3H-furan-2-thione.
What is the SMILES notation for 3H-furan-2-thione?
The canonical SMILES for 3H-furan-2-thione is S=C1CC=CO1.
What is the InChIKey of 3H-furan-2-thione?
The InChIKey is CEMVEOYUFZPWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4OS/c6-4-2-1-3-5-4/h1,3H,2H2.
What are the key properties of 3H-furan-2-thione?
3H-furan-2-thione has a molecular weight of 100.14 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-furan-2-thione is sourced from PubChem (CID 87475956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).