2,3-dihydrothiopyran-6-thione

C5H6S2 — CID 54426833

IUPAC2,3-dihydrothiopyran-6-thione
SMILESS=C1C=CCCS1
InChIInChI=1S/C5H6S2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
InChIKeyWEROCEWNCMZBSW-UHFFFAOYSA-N
MW130.24 g/mol
LogP2.01
Rot. Bonds

About 2,3-dihydrothiopyran-6-thione

2,3-dihydrothiopyran-6-thione (PubChem CID 54426833) has the molecular formula C5H6S2 and a molecular weight of 130.24 g/mol. Its IUPAC name is 2,3-dihydrothiopyran-6-thione.

Molecular Properties

Compound Name2,3-dihydrothiopyran-6-thione
PubChem CID54426833
Molecular FormulaC5H6S2
Molecular Weight130.24 g/mol
Exact Mass129.99
IUPAC Name2,3-dihydrothiopyran-6-thione
SMILESS=C1C=CCCS1
InChIInChI=1S/C5H6S2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
InChIKeyWEROCEWNCMZBSW-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dihydrothiopyran-6-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothiopyran-6-thione?
The IUPAC name of 2,3-dihydrothiopyran-6-thione (CID 54426833) is 2,3-dihydrothiopyran-6-thione.
What is the SMILES notation for 2,3-dihydrothiopyran-6-thione?
The canonical SMILES for 2,3-dihydrothiopyran-6-thione is S=C1C=CCCS1.
What is the InChIKey of 2,3-dihydrothiopyran-6-thione?
The InChIKey is WEROCEWNCMZBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2.
What are the key properties of 2,3-dihydrothiopyran-6-thione?
2,3-dihydrothiopyran-6-thione has a molecular weight of 130.24 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothiopyran-6-thione is sourced from PubChem (CID 54426833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).