4,5,6-triethyl-2H-thiopyran

C11H18S — CID 69295175

IUPAC4,5,6-triethyl-2H-thiopyran
SMILESCCC1=CCSC(CC)=C1CC
InChIInChI=1S/C11H18S/c1-4-9-7-8-12-11(6-3)10(9)5-2/h7H,4-6,8H2,1-3H3
InChIKeyAQJRLSHLASHQAU-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.14
Rot. Bonds3

About 4,5,6-triethyl-2H-thiopyran

4,5,6-triethyl-2H-thiopyran (PubChem CID 69295175) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 4,5,6-triethyl-2H-thiopyran.

Molecular Properties

Compound Name4,5,6-triethyl-2H-thiopyran
PubChem CID69295175
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name4,5,6-triethyl-2H-thiopyran
SMILESCCC1=CCSC(CC)=C1CC
InChIInChI=1S/C11H18S/c1-4-9-7-8-12-11(6-3)10(9)5-2/h7H,4-6,8H2,1-3H3
InChIKeyAQJRLSHLASHQAU-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-triethyl-2H-thiopyran?
The IUPAC name of 4,5,6-triethyl-2H-thiopyran (CID 69295175) is 4,5,6-triethyl-2H-thiopyran.
What is the SMILES notation for 4,5,6-triethyl-2H-thiopyran?
The canonical SMILES for 4,5,6-triethyl-2H-thiopyran is CCC1=CCSC(CC)=C1CC.
What is the InChIKey of 4,5,6-triethyl-2H-thiopyran?
The InChIKey is AQJRLSHLASHQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-4-9-7-8-12-11(6-3)10(9)5-2/h7H,4-6,8H2,1-3H3.
What are the key properties of 4,5,6-triethyl-2H-thiopyran?
4,5,6-triethyl-2H-thiopyran has a molecular weight of 182.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-triethyl-2H-thiopyran is sourced from PubChem (CID 69295175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).