4-ethyl-2,4,6-trimethylthiopyran

C10H16S — CID 91065986

IUPAC4-ethyl-2,4,6-trimethylthiopyran
SMILESCCC1(C)C=C(C)SC(C)=C1
InChIInChI=1S/C10H16S/c1-5-10(4)6-8(2)11-9(3)7-10/h6-7H,5H2,1-4H3
InChIKeyQQBFRFNELMVLJT-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.96
Rot. Bonds1

About 4-ethyl-2,4,6-trimethylthiopyran

4-ethyl-2,4,6-trimethylthiopyran (PubChem CID 91065986) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 4-ethyl-2,4,6-trimethylthiopyran.

Molecular Properties

Compound Name4-ethyl-2,4,6-trimethylthiopyran
PubChem CID91065986
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name4-ethyl-2,4,6-trimethylthiopyran
SMILESCCC1(C)C=C(C)SC(C)=C1
InChIInChI=1S/C10H16S/c1-5-10(4)6-8(2)11-9(3)7-10/h6-7H,5H2,1-4H3
InChIKeyQQBFRFNELMVLJT-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-ditert-butyl-4H-thiopyran
CID 12513622
6-ethyl-2,2,6-trimethyl-3H-thiopyran
CID 303449
1-Ethylthio-5,5-dimethyl-2-hexene
CID 6420820
2,2,3,3,5-Pentamethylthiophene
CID 90254198
4-ethyl-2,6-dimethyl-4H-thiopyran
CID 90937146
3-Hex-2-en-2-ylsulfanyl-5-methylhex-2-ene
CID 90992888
2-(2-methylbutan-2-yl)-6-(3-methylhept-5-en-3-yl)-4H-thiopyran
CID 91110333
2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran
CID 91233425
(Z)-1-tert-butylsulfanyl-5,5-dimethylhex-2-ene
CID 118259756
2-Tert-butylsulfanyl-6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 123259234
2,2,7-Trimethyl-7-methylsulfanyloct-4-ene
CID 123712302
(Z)-6,6-dimethyl-1-propan-2-ylsulfanylhept-3-ene
CID 129159591

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,4,6-trimethylthiopyran?
The IUPAC name of 4-ethyl-2,4,6-trimethylthiopyran (CID 91065986) is 4-ethyl-2,4,6-trimethylthiopyran.
What is the SMILES notation for 4-ethyl-2,4,6-trimethylthiopyran?
The canonical SMILES for 4-ethyl-2,4,6-trimethylthiopyran is CCC1(C)C=C(C)SC(C)=C1.
What is the InChIKey of 4-ethyl-2,4,6-trimethylthiopyran?
The InChIKey is QQBFRFNELMVLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-5-10(4)6-8(2)11-9(3)7-10/h6-7H,5H2,1-4H3.
What are the key properties of 4-ethyl-2,4,6-trimethylthiopyran?
4-ethyl-2,4,6-trimethylthiopyran has a molecular weight of 168.30 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,4,6-trimethylthiopyran is sourced from PubChem (CID 91065986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).