2-ethoxy-3,4-dihydro-2H-thiopyran

C7H12OS — CID 18690614

IUPAC2-ethoxy-3,4-dihydro-2H-thiopyran
SMILESCCOC1CCC=CS1
InChIInChI=1S/C7H12OS/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3
InChIKeyIPBFBYPJIMTWDK-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds2

About 2-ethoxy-3,4-dihydro-2H-thiopyran

2-ethoxy-3,4-dihydro-2H-thiopyran (PubChem CID 18690614) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-ethoxy-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name2-ethoxy-3,4-dihydro-2H-thiopyran
PubChem CID18690614
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-ethoxy-3,4-dihydro-2H-thiopyran
SMILESCCOC1CCC=CS1
InChIInChI=1S/C7H12OS/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3
InChIKeyIPBFBYPJIMTWDK-UHFFFAOYSA-N
XLogP2.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,4-dihydro-2H-thiopyran?
The IUPAC name of 2-ethoxy-3,4-dihydro-2H-thiopyran (CID 18690614) is 2-ethoxy-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 2-ethoxy-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 2-ethoxy-3,4-dihydro-2H-thiopyran is CCOC1CCC=CS1.
What is the InChIKey of 2-ethoxy-3,4-dihydro-2H-thiopyran?
The InChIKey is IPBFBYPJIMTWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-8-7-5-3-4-6-9-7/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-ethoxy-3,4-dihydro-2H-thiopyran?
2-ethoxy-3,4-dihydro-2H-thiopyran has a molecular weight of 144.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 18690614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).