3-ethoxy-2H-thiopyran

C7H10OS — CID 154254700

IUPAC3-ethoxy-2H-thiopyran
SMILESCCOC1=CC=CSC1
InChIInChI=1S/C7H10OS/c1-2-8-7-4-3-5-9-6-7/h3-5H,2,6H2,1H3
InChIKeyMLHJOOPOCBGZBB-UHFFFAOYSA-N
MW142.22 g/mol
LogP2.17
Rot. Bonds2

About 3-ethoxy-2H-thiopyran

3-ethoxy-2H-thiopyran (PubChem CID 154254700) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-ethoxy-2H-thiopyran.

Molecular Properties

Compound Name3-ethoxy-2H-thiopyran
PubChem CID154254700
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name3-ethoxy-2H-thiopyran
SMILESCCOC1=CC=CSC1
InChIInChI=1S/C7H10OS/c1-2-8-7-4-3-5-9-6-7/h3-5H,2,6H2,1H3
InChIKeyMLHJOOPOCBGZBB-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2H-thiopyran?
The IUPAC name of 3-ethoxy-2H-thiopyran (CID 154254700) is 3-ethoxy-2H-thiopyran.
What is the SMILES notation for 3-ethoxy-2H-thiopyran?
The canonical SMILES for 3-ethoxy-2H-thiopyran is CCOC1=CC=CSC1.
What is the InChIKey of 3-ethoxy-2H-thiopyran?
The InChIKey is MLHJOOPOCBGZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-2-8-7-4-3-5-9-6-7/h3-5H,2,6H2,1H3.
What are the key properties of 3-ethoxy-2H-thiopyran?
3-ethoxy-2H-thiopyran has a molecular weight of 142.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2H-thiopyran is sourced from PubChem (CID 154254700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).