2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid

C10H8O3S — CID 2796026

IUPAC2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid
SMILESCc1oc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)
InChIKeyYXDCRSXNEOKXDE-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.01
Rot. Bonds2

About 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid

2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid (PubChem CID 2796026) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid
PubChem CID2796026
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid
SMILESCc1oc(-c2cccs2)cc1C(=O)O
InChIInChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)
InChIKeyYXDCRSXNEOKXDE-UHFFFAOYSA-N
XLogP3.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid?
The IUPAC name of 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid (CID 2796026) is 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid is Cc1oc(-c2cccs2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid?
The InChIKey is YXDCRSXNEOKXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12).
What are the key properties of 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid?
2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid has a molecular weight of 208.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid is sourced from PubChem (CID 2796026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).