5-(2-chlorothiophen-3-yl)pentanoic acid

C9H11ClO2S — CID 175926039

IUPAC5-(2-chlorothiophen-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1ccsc1Cl
InChIInChI=1S/C9H11ClO2S/c10-9-7(5-6-13-9)3-1-2-4-8(11)12/h5-6H,1-4H2,(H,11,12)
InChIKeyPQTXRKSDQMLIHI-UHFFFAOYSA-N
MW218.70 g/mol
LogP3.20
Rot. Bonds5

About 5-(2-chlorothiophen-3-yl)pentanoic acid

5-(2-chlorothiophen-3-yl)pentanoic acid (PubChem CID 175926039) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 5-(2-chlorothiophen-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(2-chlorothiophen-3-yl)pentanoic acid
PubChem CID175926039
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name5-(2-chlorothiophen-3-yl)pentanoic acid
SMILESO=C(O)CCCCc1ccsc1Cl
InChIInChI=1S/C9H11ClO2S/c10-9-7(5-6-13-9)3-1-2-4-8(11)12/h5-6H,1-4H2,(H,11,12)
InChIKeyPQTXRKSDQMLIHI-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 53.20
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

7-[2-[3-(4-chlorophenyl)propyl]thiophen-3-yl]heptanoic acid
CID 15666579
7-[2-(3-phenylpropanoyl)thiophen-3-yl]heptanoic acid
CID 15666625
6-[3-(3-phenylpropyl)thiophen-2-yl]hexanoic acid
CID 15666610
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
3-(2-chlorothiophen-3-yl)-2-oxopropanoic acid
CID 130646763
11-(3-oxocyclopropen-1-yl)undecanoic acid
CID 10243288
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
4-(3-chloro-2-hydroxy-4-methylphenyl)butanoic acid
CID 117329471
(2-chlorothiophen-3-yl)methanol
CID 18938072
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorothiophen-3-yl)pentanoic acid?
The IUPAC name of 5-(2-chlorothiophen-3-yl)pentanoic acid (CID 175926039) is 5-(2-chlorothiophen-3-yl)pentanoic acid.
What is the SMILES notation for 5-(2-chlorothiophen-3-yl)pentanoic acid?
The canonical SMILES for 5-(2-chlorothiophen-3-yl)pentanoic acid is O=C(O)CCCCc1ccsc1Cl.
What is the InChIKey of 5-(2-chlorothiophen-3-yl)pentanoic acid?
The InChIKey is PQTXRKSDQMLIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c10-9-7(5-6-13-9)3-1-2-4-8(11)12/h5-6H,1-4H2,(H,11,12).
What are the key properties of 5-(2-chlorothiophen-3-yl)pentanoic acid?
5-(2-chlorothiophen-3-yl)pentanoic acid has a molecular weight of 218.70 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorothiophen-3-yl)pentanoic acid is sourced from PubChem (CID 175926039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).