2,6-diethyl-4H-thiopyran

C9H14S — CID 20633397

IUPAC2,6-diethyl-4H-thiopyran
SMILESCCC1=CCC=C(CC)S1
InChIInChI=1S/C9H14S/c1-3-8-6-5-7-9(4-2)10-8/h6-7H,3-5H2,1-2H3
InChIKeySEHFJNNBGVBBRV-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.71
Rot. Bonds2

About 2,6-diethyl-4H-thiopyran

2,6-diethyl-4H-thiopyran (PubChem CID 20633397) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2,6-diethyl-4H-thiopyran.

Molecular Properties

Compound Name2,6-diethyl-4H-thiopyran
PubChem CID20633397
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2,6-diethyl-4H-thiopyran
SMILESCCC1=CCC=C(CC)S1
InChIInChI=1S/C9H14S/c1-3-8-6-5-7-9(4-2)10-8/h6-7H,3-5H2,1-2H3
InChIKeySEHFJNNBGVBBRV-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4H-thiopyran?
The IUPAC name of 2,6-diethyl-4H-thiopyran (CID 20633397) is 2,6-diethyl-4H-thiopyran.
What is the SMILES notation for 2,6-diethyl-4H-thiopyran?
The canonical SMILES for 2,6-diethyl-4H-thiopyran is CCC1=CCC=C(CC)S1.
What is the InChIKey of 2,6-diethyl-4H-thiopyran?
The InChIKey is SEHFJNNBGVBBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-8-6-5-7-9(4-2)10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 2,6-diethyl-4H-thiopyran?
2,6-diethyl-4H-thiopyran has a molecular weight of 154.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4H-thiopyran is sourced from PubChem (CID 20633397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).