2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid

C10H20O2S — CID 61344207

IUPAC2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid
SMILESCCC(CC)(SCC(C)C)C(=O)O
InChIInChI=1S/C10H20O2S/c1-5-10(6-2,9(11)12)13-7-8(3)4/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeySHBLOUXOKBOXBC-UHFFFAOYSA-N
MW204.34 g/mol
LogP3.02
Rot. Bonds6

About 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid

2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid (PubChem CID 61344207) has the molecular formula C10H20O2S and a molecular weight of 204.34 g/mol. Its IUPAC name is 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid
PubChem CID61344207
Molecular FormulaC10H20O2S
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid
SMILESCCC(CC)(SCC(C)C)C(=O)O
InChIInChI=1S/C10H20O2S/c1-5-10(6-2,9(11)12)13-7-8(3)4/h8H,5-7H2,1-4H3,(H,11,12)
InChIKeySHBLOUXOKBOXBC-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid?
The IUPAC name of 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid (CID 61344207) is 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid?
The canonical SMILES for 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid is CCC(CC)(SCC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid?
The InChIKey is SHBLOUXOKBOXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-5-10(6-2,9(11)12)13-7-8(3)4/h8H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid?
2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid has a molecular weight of 204.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methylpropylsulfanyl)butanoic acid is sourced from PubChem (CID 61344207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).