4-(5-bromothiophen-2-yl)butanoic acid

C8H9BrO2S — CID 7131746

IUPAC4-(5-bromothiophen-2-yl)butanoic acid
SMILESO=C(O)CCCc1ccc(Br)s1
InChIInChI=1S/C8H9BrO2S/c9-7-5-4-6(12-7)2-1-3-8(10)11/h4-5H,1-3H2,(H,10,11)
InChIKeyFOXOELMEGCQMNO-UHFFFAOYSA-N
MW249.13 g/mol
LogP2.92
Rot. Bonds4

About 4-(5-bromothiophen-2-yl)butanoic acid

4-(5-bromothiophen-2-yl)butanoic acid (PubChem CID 7131746) has the molecular formula C8H9BrO2S and a molecular weight of 249.13 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)butanoic acid
PubChem CID7131746
Molecular FormulaC8H9BrO2S
Molecular Weight249.13 g/mol
Exact Mass247.95
IUPAC Name4-(5-bromothiophen-2-yl)butanoic acid
SMILESO=C(O)CCCc1ccc(Br)s1
InChIInChI=1S/C8H9BrO2S/c9-7-5-4-6(12-7)2-1-3-8(10)11/h4-5H,1-3H2,(H,10,11)
InChIKeyFOXOELMEGCQMNO-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Thienyl)Butyric Acid
CID 78386
5-(2-Thienyl)valeric acid
CID 152324
3-(2-Thienyl)propanoic acid
CID 703169
2-(5-methylthiophen-2-yl)acetic Acid
CID 4527177
2-(4-Bromothiophen-2-yl)acetic acid
CID 21260730
5-Bromo-2-thiopheneacetic acid
CID 3335086
2-(5-Bromothiophen-2-yl)propanoic acid
CID 15112294
Methyl 4-(5-bromothiophen-2-yl)butanoate
CID 18474982
3-(5-Bromothiophen-2-yl)-2-oxopropanoic acid
CID 20121160
Methyl 3-(5-bromothiophen-2-yl)propanoate
CID 22393756
5-Methyl-2-thiophenebutanoic acid
CID 28744225
3-(5-Bromothiophen-2-yl)propanoic acid
CID 33679772

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)butanoic acid?
The IUPAC name of 4-(5-bromothiophen-2-yl)butanoic acid (CID 7131746) is 4-(5-bromothiophen-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)butanoic acid?
The canonical SMILES for 4-(5-bromothiophen-2-yl)butanoic acid is O=C(O)CCCc1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)butanoic acid?
The InChIKey is FOXOELMEGCQMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO2S/c9-7-5-4-6(12-7)2-1-3-8(10)11/h4-5H,1-3H2,(H,10,11).
What are the key properties of 4-(5-bromothiophen-2-yl)butanoic acid?
4-(5-bromothiophen-2-yl)butanoic acid has a molecular weight of 249.13 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)butanoic acid is sourced from PubChem (CID 7131746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).