2-ethyl-6-methyl-4H-thiopyran

C8H12S — CID 143949796

IUPAC2-ethyl-6-methyl-4H-thiopyran
SMILESCCC1=CCC=C(C)S1
InChIInChI=1S/C8H12S/c1-3-8-6-4-5-7(2)9-8/h5-6H,3-4H2,1-2H3
InChIKeyWSUHAOLEZKMECF-UHFFFAOYSA-N
MW140.25 g/mol
LogP3.32
Rot. Bonds1

About 2-ethyl-6-methyl-4H-thiopyran

2-ethyl-6-methyl-4H-thiopyran (PubChem CID 143949796) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4H-thiopyran.

Molecular Properties

Compound Name2-ethyl-6-methyl-4H-thiopyran
PubChem CID143949796
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-ethyl-6-methyl-4H-thiopyran
SMILESCCC1=CCC=C(C)S1
InChIInChI=1S/C8H12S/c1-3-8-6-4-5-7(2)9-8/h5-6H,3-4H2,1-2H3
InChIKeyWSUHAOLEZKMECF-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dimethyl-4H-thiopyran
CID 54402561
2,3-diethyl-5-methylcyclohepta-1,3,5-triene
CID 142887028
dichlorotitanium;2,3-diethylcyclopenta-1,3-diene
CID 174352745
3,5-dimethyl-2-propylcyclohepta-1,3,5-triene
CID 123372728
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
1-ethyl-5-(3-ethylcyclohex-3-en-1-yl)cyclohexene
CID 59765969
bis(1-ethyl-3-methylcyclopenta-1,3-diene);zirconium(2+)
CID 173020265
5-ethyl-3-methyl-2H-1,3-thiazole
CID 123389064
3-ethyl-1-methylcyclohexa-1,3-diene
CID 91479514
5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene
CID 91336827
(3-ethyl-2-methyl-7-propylcyclohepta-1,3,6-trien-1-yl)phosphane
CID 166651426
1,2,6-trimethyl-4H-pyridine
CID 118906962

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4H-thiopyran?
The IUPAC name of 2-ethyl-6-methyl-4H-thiopyran (CID 143949796) is 2-ethyl-6-methyl-4H-thiopyran.
What is the SMILES notation for 2-ethyl-6-methyl-4H-thiopyran?
The canonical SMILES for 2-ethyl-6-methyl-4H-thiopyran is CCC1=CCC=C(C)S1.
What is the InChIKey of 2-ethyl-6-methyl-4H-thiopyran?
The InChIKey is WSUHAOLEZKMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-3-8-6-4-5-7(2)9-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-4H-thiopyran?
2-ethyl-6-methyl-4H-thiopyran has a molecular weight of 140.25 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4H-thiopyran is sourced from PubChem (CID 143949796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).