4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran

C8H14S — CID 89263498

IUPAC4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran
SMILESCCC1=C(C)CSCC1
InChIInChI=1S/C8H14S/c1-3-8-4-5-9-6-7(8)2/h3-6H2,1-2H3
InChIKeyZKLMOYQBJXMTMU-UHFFFAOYSA-N
MW142.27 g/mol
LogP2.85
Rot. Bonds1

About 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran

4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran (PubChem CID 89263498) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran
PubChem CID89263498
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran
SMILESCCC1=C(C)CSCC1
InChIInChI=1S/C8H14S/c1-3-8-4-5-9-6-7(8)2/h3-6H2,1-2H3
InChIKeyZKLMOYQBJXMTMU-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-4-propan-2-yl-2,3-dihydrothiophene
CID 13360337
4,5-Dimethyl-2,3-dihydrothiophene
CID 14041180
4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
4-Ethyl-5-methyl-2,3-dihydrothiophene
CID 15709709
5,6-dimethyl-3,4-dihydro-2H-thiopyran
CID 15709713
3,4-Dimethyl-5,6-dihydro-2h-thiopyran
CID 23530091
4,5-Dimethyl-2-(trifluoromethyl)-3,6-dihydro-2H-thiopyran
CID 24978403
Thiocyclohexane, 4-ethylidene
CID 22965783
Thiocyclohexane, 4-isopropylidene
CID 68355606
Thiocyclohexane, 4-propylidene
CID 91748963
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
2,4,5-Trimethyl-3,6-dihydro-2H-thiopyran
CID 12792225

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran (CID 89263498) is 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran is CCC1=C(C)CSCC1.
What is the InChIKey of 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran?
The InChIKey is ZKLMOYQBJXMTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-3-8-4-5-9-6-7(8)2/h3-6H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran?
4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran has a molecular weight of 142.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 89263498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).