5-chloro-4-methylthiophene-2-carboxylic acid

C6H5ClO2S — CID 12605957

IUPAC5-chloro-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1Cl
InChIInChI=1S/C6H5ClO2S/c1-3-2-4(6(8)9)10-5(3)7/h2H,1H3,(H,8,9)
InChIKeyDFFITKIQYSTVPF-UHFFFAOYSA-N
MW176.62 g/mol
LogP2.41
Rot. Bonds1

About 5-chloro-4-methylthiophene-2-carboxylic acid

5-chloro-4-methylthiophene-2-carboxylic acid (PubChem CID 12605957) has the molecular formula C6H5ClO2S and a molecular weight of 176.62 g/mol. Its IUPAC name is 5-chloro-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-methylthiophene-2-carboxylic acid
PubChem CID12605957
Molecular FormulaC6H5ClO2S
Molecular Weight176.62 g/mol
Exact Mass175.97
IUPAC Name5-chloro-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1Cl
InChIInChI=1S/C6H5ClO2S/c1-3-2-4(6(8)9)10-5(3)7/h2H,1H3,(H,8,9)
InChIKeyDFFITKIQYSTVPF-UHFFFAOYSA-N
XLogP2.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-chloro-4-methylthiophene-2-carboxylic acid (CID 12605957) is 5-chloro-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-methylthiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1Cl.
What is the InChIKey of 5-chloro-4-methylthiophene-2-carboxylic acid?
The InChIKey is DFFITKIQYSTVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2S/c1-3-2-4(6(8)9)10-5(3)7/h2H,1H3,(H,8,9).
What are the key properties of 5-chloro-4-methylthiophene-2-carboxylic acid?
5-chloro-4-methylthiophene-2-carboxylic acid has a molecular weight of 176.62 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 12605957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).