2-(2-methylsulfanylethyl)pentanoic acid

C8H16O2S — CID 14743004

IUPAC2-(2-methylsulfanylethyl)pentanoic acid
SMILESCCCC(CCSC)C(=O)O
InChIInChI=1S/C8H16O2S/c1-3-4-7(8(9)10)5-6-11-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyZVKNKBONHLJMMI-UHFFFAOYSA-N
MW176.28 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-methylsulfanylethyl)pentanoic acid

2-(2-methylsulfanylethyl)pentanoic acid (PubChem CID 14743004) has the molecular formula C8H16O2S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)pentanoic acid.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)pentanoic acid
PubChem CID14743004
Molecular FormulaC8H16O2S
Molecular Weight176.28 g/mol
Exact Mass176.09
IUPAC Name2-(2-methylsulfanylethyl)pentanoic acid
SMILESCCCC(CCSC)C(=O)O
InChIInChI=1S/C8H16O2S/c1-3-4-7(8(9)10)5-6-11-2/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyZVKNKBONHLJMMI-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)pentanoic acid?
The IUPAC name of 2-(2-methylsulfanylethyl)pentanoic acid (CID 14743004) is 2-(2-methylsulfanylethyl)pentanoic acid.
What is the SMILES notation for 2-(2-methylsulfanylethyl)pentanoic acid?
The canonical SMILES for 2-(2-methylsulfanylethyl)pentanoic acid is CCCC(CCSC)C(=O)O.
What is the InChIKey of 2-(2-methylsulfanylethyl)pentanoic acid?
The InChIKey is ZVKNKBONHLJMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2S/c1-3-4-7(8(9)10)5-6-11-2/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-methylsulfanylethyl)pentanoic acid?
2-(2-methylsulfanylethyl)pentanoic acid has a molecular weight of 176.28 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)pentanoic acid is sourced from PubChem (CID 14743004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).