1-(4H-thiopyran-2-yl)pentan-1-one

C10H14OS — CID 90709329

IUPAC1-(4H-thiopyran-2-yl)pentan-1-one
SMILESCCCCC(=O)C1=CCC=CS1
InChIInChI=1S/C10H14OS/c1-2-3-6-9(11)10-7-4-5-8-12-10/h5,7-8H,2-4,6H2,1H3
InChIKeySCIDPWIPGJADCZ-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.28
Rot. Bonds4

About 1-(4H-thiopyran-2-yl)pentan-1-one

1-(4H-thiopyran-2-yl)pentan-1-one (PubChem CID 90709329) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-(4H-thiopyran-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(4H-thiopyran-2-yl)pentan-1-one
PubChem CID90709329
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-(4H-thiopyran-2-yl)pentan-1-one
SMILESCCCCC(=O)C1=CCC=CS1
InChIInChI=1S/C10H14OS/c1-2-3-6-9(11)10-7-4-5-8-12-10/h5,7-8H,2-4,6H2,1H3
InChIKeySCIDPWIPGJADCZ-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-thiopyran-2-yl)pentan-1-one?
The IUPAC name of 1-(4H-thiopyran-2-yl)pentan-1-one (CID 90709329) is 1-(4H-thiopyran-2-yl)pentan-1-one.
What is the SMILES notation for 1-(4H-thiopyran-2-yl)pentan-1-one?
The canonical SMILES for 1-(4H-thiopyran-2-yl)pentan-1-one is CCCCC(=O)C1=CCC=CS1.
What is the InChIKey of 1-(4H-thiopyran-2-yl)pentan-1-one?
The InChIKey is SCIDPWIPGJADCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-2-3-6-9(11)10-7-4-5-8-12-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 1-(4H-thiopyran-2-yl)pentan-1-one?
1-(4H-thiopyran-2-yl)pentan-1-one has a molecular weight of 182.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-thiopyran-2-yl)pentan-1-one is sourced from PubChem (CID 90709329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).