3-methoxy-2H-thiopyran

C6H8OS — CID 70400228

IUPAC3-methoxy-2H-thiopyran
SMILESCOC1=CC=CSC1
InChIInChI=1S/C6H8OS/c1-7-6-3-2-4-8-5-6/h2-4H,5H2,1H3
InChIKeyBSTCVYBAQBQKOH-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.78
Rot. Bonds1

About 3-methoxy-2H-thiopyran

3-methoxy-2H-thiopyran (PubChem CID 70400228) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 3-methoxy-2H-thiopyran.

Molecular Properties

Compound Name3-methoxy-2H-thiopyran
PubChem CID70400228
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name3-methoxy-2H-thiopyran
SMILESCOC1=CC=CSC1
InChIInChI=1S/C6H8OS/c1-7-6-3-2-4-8-5-6/h2-4H,5H2,1H3
InChIKeyBSTCVYBAQBQKOH-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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2H-thiopyran?
The IUPAC name of 3-methoxy-2H-thiopyran (CID 70400228) is 3-methoxy-2H-thiopyran.
What is the SMILES notation for 3-methoxy-2H-thiopyran?
The canonical SMILES for 3-methoxy-2H-thiopyran is COC1=CC=CSC1.
What is the InChIKey of 3-methoxy-2H-thiopyran?
The InChIKey is BSTCVYBAQBQKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-7-6-3-2-4-8-5-6/h2-4H,5H2,1H3.
What are the key properties of 3-methoxy-2H-thiopyran?
3-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 3-methoxy-2H-thiopyran is sourced from PubChem (CID 70400228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).