4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid

C12H12O2S2 — CID 70912798

IUPAC4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
SMILESO=C(O)CCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C12H12O2S2/c13-12(14)5-1-3-9-6-7-11(16-9)10-4-2-8-15-10/h2,4,6-8H,1,3,5H2,(H,13,14)
InChIKeyUYAMSPVCWYZFEP-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.88
Rot. Bonds5

About 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid

4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid (PubChem CID 70912798) has the molecular formula C12H12O2S2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
PubChem CID70912798
Molecular FormulaC12H12O2S2
Molecular Weight252.36 g/mol
Exact Mass252.03
IUPAC Name4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
SMILESO=C(O)CCCc1ccc(-c2cccs2)s1
InChIInChI=1S/C12H12O2S2/c13-12(14)5-1-3-9-6-7-11(16-9)10-4-2-8-15-10/h2,4,6-8H,1,3,5H2,(H,13,14)
InChIKeyUYAMSPVCWYZFEP-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2-(8-bromooctyl)-5-thiophen-2-ylthiophene
CID 11013746
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]acetamide
CID 155800416
N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine
CID 100937102
N'-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 155800302
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
4-thiophen-2-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 174398681
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl 2-methylprop-2-enoate
CID 86183810
3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid
CID 121380606
2-(2-isothiocyanatoethyl)-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
CID 10268546
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820

Frequently Asked Questions

What is the IUPAC name of 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid?
The IUPAC name of 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid (CID 70912798) is 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid?
The canonical SMILES for 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid is O=C(O)CCCc1ccc(-c2cccs2)s1.
What is the InChIKey of 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid?
The InChIKey is UYAMSPVCWYZFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2S2/c13-12(14)5-1-3-9-6-7-11(16-9)10-4-2-8-15-10/h2,4,6-8H,1,3,5H2,(H,13,14).
What are the key properties of 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid?
4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid has a molecular weight of 252.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid is sourced from PubChem (CID 70912798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).