2-butyl-2H-thiopyran

C9H14S — CID 527051

IUPAC2-butyl-2H-thiopyran
SMILESCCCCC1C=CC=CS1
InChIInChI=1S/C9H14S/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-9H,2-3,6H2,1H3
InChIKeyGLNHYDJALZRGEG-UHFFFAOYSA-N
MW154.28 g/mol
LogP3.36
Rot. Bonds3

About 2-butyl-2H-thiopyran

2-butyl-2H-thiopyran (PubChem CID 527051) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is 2-butyl-2H-thiopyran.

Molecular Properties

Compound Name2-butyl-2H-thiopyran
PubChem CID527051
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name2-butyl-2H-thiopyran
SMILESCCCCC1C=CC=CS1
InChIInChI=1S/C9H14S/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-9H,2-3,6H2,1H3
InChIKeyGLNHYDJALZRGEG-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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-butyl-2H-thiopyran?
The IUPAC name of 2-butyl-2H-thiopyran (CID 527051) is 2-butyl-2H-thiopyran.
What is the SMILES notation for 2-butyl-2H-thiopyran?
The canonical SMILES for 2-butyl-2H-thiopyran is CCCCC1C=CC=CS1.
What is the InChIKey of 2-butyl-2H-thiopyran?
The InChIKey is GLNHYDJALZRGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S/c1-2-3-6-9-7-4-5-8-10-9/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 2-butyl-2H-thiopyran?
2-butyl-2H-thiopyran has a molecular weight of 154.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2H-thiopyran is sourced from PubChem (CID 527051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).