2,3-dihydropyran-4-thione

C5H6OS — CID 59986306

IUPAC2,3-dihydropyran-4-thione
SMILESS=C1C=COCC1
InChIInChI=1S/C5H6OS/c7-5-1-3-6-4-2-5/h1,3H,2,4H2
InChIKeyLCWOUCVAYQBNGU-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.29
Rot. Bonds

About 2,3-dihydropyran-4-thione

2,3-dihydropyran-4-thione (PubChem CID 59986306) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is 2,3-dihydropyran-4-thione.

Molecular Properties

Compound Name2,3-dihydropyran-4-thione
PubChem CID59986306
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Name2,3-dihydropyran-4-thione
SMILESS=C1C=COCC1
InChIInChI=1S/C5H6OS/c7-5-1-3-6-4-2-5/h1,3H,2,4H2
InChIKeyLCWOUCVAYQBNGU-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.29
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 2,3-dihydropyran-4-thione?
The IUPAC name of 2,3-dihydropyran-4-thione (CID 59986306) is 2,3-dihydropyran-4-thione.
What is the SMILES notation for 2,3-dihydropyran-4-thione?
The canonical SMILES for 2,3-dihydropyran-4-thione is S=C1C=COCC1.
What is the InChIKey of 2,3-dihydropyran-4-thione?
The InChIKey is LCWOUCVAYQBNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c7-5-1-3-6-4-2-5/h1,3H,2,4H2.
What are the key properties of 2,3-dihydropyran-4-thione?
2,3-dihydropyran-4-thione has a molecular weight of 114.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyran-4-thione is sourced from PubChem (CID 59986306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).