2-ethyl-2-methylsulfanylbutanoic acid

C7H14O2S — CID 61343113

IUPAC2-ethyl-2-methylsulfanylbutanoic acid
SMILESCCC(CC)(SC)C(=O)O
InChIInChI=1S/C7H14O2S/c1-4-7(5-2,10-3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyFAPTUWPSQDBCPH-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.99
Rot. Bonds4

About 2-ethyl-2-methylsulfanylbutanoic acid

2-ethyl-2-methylsulfanylbutanoic acid (PubChem CID 61343113) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-ethyl-2-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-methylsulfanylbutanoic acid
PubChem CID61343113
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-ethyl-2-methylsulfanylbutanoic acid
SMILESCCC(CC)(SC)C(=O)O
InChIInChI=1S/C7H14O2S/c1-4-7(5-2,10-3)6(8)9/h4-5H2,1-3H3,(H,8,9)
InChIKeyFAPTUWPSQDBCPH-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methylsulfanylbutanoic acid?
The IUPAC name of 2-ethyl-2-methylsulfanylbutanoic acid (CID 61343113) is 2-ethyl-2-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-ethyl-2-methylsulfanylbutanoic acid?
The canonical SMILES for 2-ethyl-2-methylsulfanylbutanoic acid is CCC(CC)(SC)C(=O)O.
What is the InChIKey of 2-ethyl-2-methylsulfanylbutanoic acid?
The InChIKey is FAPTUWPSQDBCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-4-7(5-2,10-3)6(8)9/h4-5H2,1-3H3,(H,8,9).
What are the key properties of 2-ethyl-2-methylsulfanylbutanoic acid?
2-ethyl-2-methylsulfanylbutanoic acid has a molecular weight of 162.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methylsulfanylbutanoic acid is sourced from PubChem (CID 61343113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).