6-(5-chlorothiophen-2-yl)hexanoic acid

C10H13ClO2S — CID 43446917

IUPAC6-(5-chlorothiophen-2-yl)hexanoic acid
SMILESO=C(O)CCCCCc1ccc(Cl)s1
InChIInChI=1S/C10H13ClO2S/c11-9-7-6-8(14-9)4-2-1-3-5-10(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeyDGOHTVCCLYKSBN-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.59
Rot. Bonds6

About 6-(5-chlorothiophen-2-yl)hexanoic acid

6-(5-chlorothiophen-2-yl)hexanoic acid (PubChem CID 43446917) has the molecular formula C10H13ClO2S and a molecular weight of 232.73 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)hexanoic acid
PubChem CID43446917
Molecular FormulaC10H13ClO2S
Molecular Weight232.73 g/mol
Exact Mass232.03
IUPAC Name6-(5-chlorothiophen-2-yl)hexanoic acid
SMILESO=C(O)CCCCCc1ccc(Cl)s1
InChIInChI=1S/C10H13ClO2S/c11-9-7-6-8(14-9)4-2-1-3-5-10(12)13/h6-7H,1-5H2,(H,12,13)
InChIKeyDGOHTVCCLYKSBN-UHFFFAOYSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
9-(5-chlorothiophen-2-yl)nonanoate
CID 7038793
3-[4-(5-chlorothiophen-2-yl)butylcarbamoylamino]propanoic acid
CID 122013691
5-(5-chlorothiophen-2-yl)pentan-2-one
CID 64522683
10-(5-formylthiophen-2-yl)decanoic acid
CID 20555746
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
CID 106033208
2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid
CID 112518605
7-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]heptanoic acid
CID 61440245
6-[5-(N-hydroxy-C-methylcarbonimidoyl)thiophen-2-yl]hexanoic acid
CID 593072

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)hexanoic acid?
The IUPAC name of 6-(5-chlorothiophen-2-yl)hexanoic acid (CID 43446917) is 6-(5-chlorothiophen-2-yl)hexanoic acid.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)hexanoic acid?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)hexanoic acid is O=C(O)CCCCCc1ccc(Cl)s1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)hexanoic acid?
The InChIKey is DGOHTVCCLYKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2S/c11-9-7-6-8(14-9)4-2-1-3-5-10(12)13/h6-7H,1-5H2,(H,12,13).
What are the key properties of 6-(5-chlorothiophen-2-yl)hexanoic acid?
6-(5-chlorothiophen-2-yl)hexanoic acid has a molecular weight of 232.73 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)hexanoic acid is sourced from PubChem (CID 43446917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).