4-methoxy-2H-thiopyran

C6H8OS — CID 69337764

IUPAC4-methoxy-2H-thiopyran
SMILESCOC1=CCSC=C1
InChIInChI=1S/C6H8OS/c1-7-6-2-4-8-5-3-6/h2-4H,5H2,1H3
InChIKeyCECQASDXIDBAFM-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.78
Rot. Bonds1

About 4-methoxy-2H-thiopyran

4-methoxy-2H-thiopyran (PubChem CID 69337764) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 4-methoxy-2H-thiopyran.

Molecular Properties

Compound Name4-methoxy-2H-thiopyran
PubChem CID69337764
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name4-methoxy-2H-thiopyran
SMILESCOC1=CCSC=C1
InChIInChI=1S/C6H8OS/c1-7-6-2-4-8-5-3-6/h2-4H,5H2,1H3
InChIKeyCECQASDXIDBAFM-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-2H-thiopyran 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 4-methoxy-2H-thiopyran?
The IUPAC name of 4-methoxy-2H-thiopyran (CID 69337764) is 4-methoxy-2H-thiopyran.
What is the SMILES notation for 4-methoxy-2H-thiopyran?
The canonical SMILES for 4-methoxy-2H-thiopyran is COC1=CCSC=C1.
What is the InChIKey of 4-methoxy-2H-thiopyran?
The InChIKey is CECQASDXIDBAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-7-6-2-4-8-5-3-6/h2-4H,5H2,1H3.
What are the key properties of 4-methoxy-2H-thiopyran?
4-methoxy-2H-thiopyran has a molecular weight of 128.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2H-thiopyran is sourced from PubChem (CID 69337764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).