2,3,4-triethyl-2H-thiopyran

C11H18S — CID 69295177

IUPAC2,3,4-triethyl-2H-thiopyran
SMILESCCC1=C(CC)C(CC)SC=C1
InChIInChI=1S/C11H18S/c1-4-9-7-8-12-11(6-3)10(9)5-2/h7-8,11H,4-6H2,1-3H3
InChIKeyVCOZTJOUCHYAOE-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.14
Rot. Bonds3

About 2,3,4-triethyl-2H-thiopyran

2,3,4-triethyl-2H-thiopyran (PubChem CID 69295177) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 2,3,4-triethyl-2H-thiopyran.

Molecular Properties

Compound Name2,3,4-triethyl-2H-thiopyran
PubChem CID69295177
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name2,3,4-triethyl-2H-thiopyran
SMILESCCC1=C(CC)C(CC)SC=C1
InChIInChI=1S/C11H18S/c1-4-9-7-8-12-11(6-3)10(9)5-2/h7-8,11H,4-6H2,1-3H3
InChIKeyVCOZTJOUCHYAOE-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 2,3,4-triethyl-2H-thiopyran?
The IUPAC name of 2,3,4-triethyl-2H-thiopyran (CID 69295177) is 2,3,4-triethyl-2H-thiopyran.
What is the SMILES notation for 2,3,4-triethyl-2H-thiopyran?
The canonical SMILES for 2,3,4-triethyl-2H-thiopyran is CCC1=C(CC)C(CC)SC=C1.
What is the InChIKey of 2,3,4-triethyl-2H-thiopyran?
The InChIKey is VCOZTJOUCHYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-4-9-7-8-12-11(6-3)10(9)5-2/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 2,3,4-triethyl-2H-thiopyran?
2,3,4-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 2,3,4-triethyl-2H-thiopyran is sourced from PubChem (CID 69295177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).