4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran

C9H14S — CID 134965301

IUPAC4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran
SMILESC=CC1=CCSCC1CC
InChIInChI=1S/C9H14S/c1-3-8-5-6-10-7-9(8)4-2/h3,5,9H,1,4,6-7H2,2H3
InChIKeyVVJTVGAZDJLVIL-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.87
Rot. Bonds2

About 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran

4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran (PubChem CID 134965301) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran
PubChem CID134965301
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran
SMILESC=CC1=CCSCC1CC
InChIInChI=1S/C9H14S/c1-3-8-5-6-10-7-9(8)4-2/h3,5,9H,1,4,6-7H2,2H3
InChIKeyVVJTVGAZDJLVIL-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Fluoro-6-methyl-3,4,5a,9a-tetrahydrodibenzothiophene
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2-(Ethylsulfanylmethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 156896275
(2S,3R)-2-[(E)-2-fluoroethenyl]-3,4,5-trimethyl-2,3-dihydrothiophene
CID 164114816
1-(1-Fluoroethyl)-5-methyl-6-methylsulfanylcyclohexa-1,3-diene
CID 173055919
2-Propyl-2H-thiapyrane
CID 527055
Ethylfurfuryl sulfide
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2H-Thiopyran, 3,6-dihydro-2,2,4-trimethyl-
CID 12282559

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran (CID 134965301) is 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran is C=CC1=CCSCC1CC.
What is the InChIKey of 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran?
The InChIKey is VVJTVGAZDJLVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-8-5-6-10-7-9(8)4-2/h3,5,9H,1,4,6-7H2,2H3.
What are the key properties of 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran?
4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran has a molecular weight of 154.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-ethyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 134965301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).