3-ethyl-2-(methoxymethyl)-4H-thiopyran

C9H14OS — CID 123442266

IUPAC3-ethyl-2-(methoxymethyl)-4H-thiopyran
SMILESCCC1=C(COC)SC=CC1
InChIInChI=1S/C9H14OS/c1-3-8-5-4-6-11-9(8)7-10-2/h4,6H,3,5,7H2,1-2H3
InChIKeyJIGWCCIMHTUFIS-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.95
Rot. Bonds3

About 3-ethyl-2-(methoxymethyl)-4H-thiopyran

3-ethyl-2-(methoxymethyl)-4H-thiopyran (PubChem CID 123442266) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 3-ethyl-2-(methoxymethyl)-4H-thiopyran.

Molecular Properties

Compound Name3-ethyl-2-(methoxymethyl)-4H-thiopyran
PubChem CID123442266
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name3-ethyl-2-(methoxymethyl)-4H-thiopyran
SMILESCCC1=C(COC)SC=CC1
InChIInChI=1S/C9H14OS/c1-3-8-5-4-6-11-9(8)7-10-2/h4,6H,3,5,7H2,1-2H3
InChIKeyJIGWCCIMHTUFIS-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2E)-3,7-dimethylocta-2,6-dienyl] ethylsulfanylformate
CID 44285908
2-(2,6-Dimethyl-1,5-heptadien-1-yl)-1,3-oxathiolane
CID 11310397
2-(2,6-Dimethylhepta-1,5-dien-1-YL)-1,3-oxathiolane
CID 53423091
(2E)-3,7-dimethyl-1-(methylsulfanylmethoxy)octa-2,6-diene
CID 5893948
(5E)-2,6-dimethyl-7-(methylsulfanylmethoxy)hepta-1,5-diene
CID 20609696
4-(2-Methoxyethylidene)thiane
CID 59255544
2,6-Dimethyl-7-(methylsulfanylmethoxy)hepta-1,5-diene
CID 73685391
(3-ethyl-4H-thiopyran-2-yl)methanol
CID 123493537
Ethane;2-(ethoxymethyl)-4,4-dimethylthiopyran
CID 143730777
(2E)-3,7-dimethyl-1-(2-methylsulfanylpropan-2-yloxy)octa-2,6-diene
CID 146237779
4-(Methoxymethyl)cyclohexa-2,4-diene-1-thiol
CID 166904960
3,7-Dimethyl-1-(methylsulfanylmethoxy)octa-2,6-diene
CID 329400

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(methoxymethyl)-4H-thiopyran?
The IUPAC name of 3-ethyl-2-(methoxymethyl)-4H-thiopyran (CID 123442266) is 3-ethyl-2-(methoxymethyl)-4H-thiopyran.
What is the SMILES notation for 3-ethyl-2-(methoxymethyl)-4H-thiopyran?
The canonical SMILES for 3-ethyl-2-(methoxymethyl)-4H-thiopyran is CCC1=C(COC)SC=CC1.
What is the InChIKey of 3-ethyl-2-(methoxymethyl)-4H-thiopyran?
The InChIKey is JIGWCCIMHTUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-3-8-5-4-6-11-9(8)7-10-2/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 3-ethyl-2-(methoxymethyl)-4H-thiopyran?
3-ethyl-2-(methoxymethyl)-4H-thiopyran has a molecular weight of 170.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(methoxymethyl)-4H-thiopyran is sourced from PubChem (CID 123442266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).