4-ethyl-2,6-dimethyl-4H-thiopyran

C9H14S — CID 90937146

IUPAC4-ethyl-2,6-dimethyl-4H-thiopyran
SMILESCCC1C=C(C)SC(C)=C1
InChIInChI=1S/C9H14S/c1-4-9-5-7(2)10-8(3)6-9/h5-6,9H,4H2,1-3H3
InChIKeyNJTJKXVSXJSIPO-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.57
Rot. Bonds1

About 4-ethyl-2,6-dimethyl-4H-thiopyran

4-ethyl-2,6-dimethyl-4H-thiopyran (PubChem CID 90937146) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethyl-4H-thiopyran.

Molecular Properties

Compound Name4-ethyl-2,6-dimethyl-4H-thiopyran
PubChem CID90937146
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name4-ethyl-2,6-dimethyl-4H-thiopyran
SMILESCCC1C=C(C)SC(C)=C1
InChIInChI=1S/C9H14S/c1-4-9-5-7(2)10-8(3)6-9/h5-6,9H,4H2,1-3H3
InChIKeyNJTJKXVSXJSIPO-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethyl-4H-thiopyran?
The IUPAC name of 4-ethyl-2,6-dimethyl-4H-thiopyran (CID 90937146) is 4-ethyl-2,6-dimethyl-4H-thiopyran.
What is the SMILES notation for 4-ethyl-2,6-dimethyl-4H-thiopyran?
The canonical SMILES for 4-ethyl-2,6-dimethyl-4H-thiopyran is CCC1C=C(C)SC(C)=C1.
What is the InChIKey of 4-ethyl-2,6-dimethyl-4H-thiopyran?
The InChIKey is NJTJKXVSXJSIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-4-9-5-7(2)10-8(3)6-9/h5-6,9H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,6-dimethyl-4H-thiopyran?
4-ethyl-2,6-dimethyl-4H-thiopyran has a molecular weight of 154.28 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethyl-4H-thiopyran is sourced from PubChem (CID 90937146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).