5-methyl-2-thiophen-3-ylbenzoic acid

C12H10O2S — CID 53224821

IUPAC5-methyl-2-thiophen-3-ylbenzoic acid
SMILESCc1ccc(-c2ccsc2)c(C(=O)O)c1
InChIInChI=1S/C12H10O2S/c1-8-2-3-10(9-4-5-15-7-9)11(6-8)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyBJSZSZPUOAQYAT-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.42
Rot. Bonds2

About 5-methyl-2-thiophen-3-ylbenzoic acid

5-methyl-2-thiophen-3-ylbenzoic acid (PubChem CID 53224821) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-methyl-2-thiophen-3-ylbenzoic acid.

Molecular Properties

Compound Name5-methyl-2-thiophen-3-ylbenzoic acid
PubChem CID53224821
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name5-methyl-2-thiophen-3-ylbenzoic acid
SMILESCc1ccc(-c2ccsc2)c(C(=O)O)c1
InChIInChI=1S/C12H10O2S/c1-8-2-3-10(9-4-5-15-7-9)11(6-8)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyBJSZSZPUOAQYAT-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 5359
CID 5359
CID 5468
CID 5468
CID 695450
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CID 6438168
CID 6438168
CID 282654
CID 282654
CID 6366726
CID 6366726
CID 29886
CID 29886
CID 736498
CID 736498
CID 736862
CID 736862
CID 767738
CID 767738
CID 736494
CID 736494
CID 2998934
CID 2998934

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-3-ylbenzoic acid?
The IUPAC name of 5-methyl-2-thiophen-3-ylbenzoic acid (CID 53224821) is 5-methyl-2-thiophen-3-ylbenzoic acid.
What is the SMILES notation for 5-methyl-2-thiophen-3-ylbenzoic acid?
The canonical SMILES for 5-methyl-2-thiophen-3-ylbenzoic acid is Cc1ccc(-c2ccsc2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-thiophen-3-ylbenzoic acid?
The InChIKey is BJSZSZPUOAQYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-8-2-3-10(9-4-5-15-7-9)11(6-8)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 5-methyl-2-thiophen-3-ylbenzoic acid?
5-methyl-2-thiophen-3-ylbenzoic acid has a molecular weight of 218.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-3-ylbenzoic acid is sourced from PubChem (CID 53224821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).