2-(2-thiophen-3-ylethylsulfanyl)butanoic acid

C10H14O2S2 — CID 105352892

IUPAC2-(2-thiophen-3-ylethylsulfanyl)butanoic acid
SMILESCCC(SCCc1ccsc1)C(=O)O
InChIInChI=1S/C10H14O2S2/c1-2-9(10(11)12)14-6-4-8-3-5-13-7-8/h3,5,7,9H,2,4,6H2,1H3,(H,11,12)
InChIKeyYBSOUMWKTORRKZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.89
Rot. Bonds6

About 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid

2-(2-thiophen-3-ylethylsulfanyl)butanoic acid (PubChem CID 105352892) has the molecular formula C10H14O2S2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid.

Molecular Properties

Compound Name2-(2-thiophen-3-ylethylsulfanyl)butanoic acid
PubChem CID105352892
Molecular FormulaC10H14O2S2
Molecular Weight230.35 g/mol
Exact Mass230.04
IUPAC Name2-(2-thiophen-3-ylethylsulfanyl)butanoic acid
SMILESCCC(SCCc1ccsc1)C(=O)O
InChIInChI=1S/C10H14O2S2/c1-2-9(10(11)12)14-6-4-8-3-5-13-7-8/h3,5,7,9H,2,4,6H2,1H3,(H,11,12)
InChIKeyYBSOUMWKTORRKZ-UHFFFAOYSA-N
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
2-[2-(4-methylphenyl)sulfanylethylsulfanyl]butanoic acid
CID 105353049
(2S)-2-(3-thiophen-3-ylpropanoylamino)pentanoic acid
CID 99851728
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
(2S)-2-amino-3-methyl-3-(thiophen-3-ylmethylsulfanyl)butanoic acid
CID 106443253
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
(2S)-2-ethoxy-3-thiophen-3-ylpropanoic acid
CID 11608110
azane;3-propylthiophene
CID 174446539
(2R)-4-methylsulfanyl-2-(2-thiophen-3-ylethylcarbamoylamino)butanoic acid
CID 104910048
3-heptylthiophene;3-hexylthiophene
CID 159152668
3-methyl-2-(3-thiophen-3-ylpropanoylamino)butanoic acid
CID 119169875

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid?
The IUPAC name of 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid (CID 105352892) is 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid.
What is the SMILES notation for 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid?
The canonical SMILES for 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid is CCC(SCCc1ccsc1)C(=O)O.
What is the InChIKey of 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid?
The InChIKey is YBSOUMWKTORRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S2/c1-2-9(10(11)12)14-6-4-8-3-5-13-7-8/h3,5,7,9H,2,4,6H2,1H3,(H,11,12).
What are the key properties of 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid?
2-(2-thiophen-3-ylethylsulfanyl)butanoic acid has a molecular weight of 230.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-ylethylsulfanyl)butanoic acid is sourced from PubChem (CID 105352892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).