2,3-diethyl-2H-thiopyran

C9H14S — CID 70400780

IUPAC2,3-diethyl-2H-thiopyran
SMILESCCC1=CC=CSC1CC
InChIInChI=1S/C9H14S/c1-3-8-6-5-7-10-9(8)4-2/h5-7,9H,3-4H2,1-2H3
InChIKeyIBQLZBHQUOSNRP-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.36
Rot. Bonds2

About 2,3-diethyl-2H-thiopyran

2,3-diethyl-2H-thiopyran (PubChem CID 70400780) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2,3-diethyl-2H-thiopyran.

Molecular Properties

Compound Name2,3-diethyl-2H-thiopyran
PubChem CID70400780
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2,3-diethyl-2H-thiopyran
SMILESCCC1=CC=CSC1CC
InChIInChI=1S/C9H14S/c1-3-8-6-5-7-10-9(8)4-2/h5-7,9H,3-4H2,1-2H3
InChIKeyIBQLZBHQUOSNRP-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-2H-thiopyran?
The IUPAC name of 2,3-diethyl-2H-thiopyran (CID 70400780) is 2,3-diethyl-2H-thiopyran.
What is the SMILES notation for 2,3-diethyl-2H-thiopyran?
The canonical SMILES for 2,3-diethyl-2H-thiopyran is CCC1=CC=CSC1CC.
What is the InChIKey of 2,3-diethyl-2H-thiopyran?
The InChIKey is IBQLZBHQUOSNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-3-8-6-5-7-10-9(8)4-2/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2,3-diethyl-2H-thiopyran?
2,3-diethyl-2H-thiopyran has a molecular weight of 154.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2H-thiopyran is sourced from PubChem (CID 70400780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).