4-methylthieno[2,3-b]indole-2-carboxylic acid

C12H9NO2S — CID 2060232

IUPAC4-methylthieno[2,3-b]indole-2-carboxylic acid
SMILESCn1c2ccccc2c2cc(C(=O)O)sc21
InChIInChI=1S/C12H9NO2S/c1-13-9-5-3-2-4-7(9)8-6-10(12(14)15)16-11(8)13/h2-6H,1H3,(H,14,15)
InChIKeyJHFVKRLBHYSSBD-UHFFFAOYSA-N
MW231.28 g/mol
LogP3.09
Rot. Bonds1

About 4-methylthieno[2,3-b]indole-2-carboxylic acid

4-methylthieno[2,3-b]indole-2-carboxylic acid (PubChem CID 2060232) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-methylthieno[2,3-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name4-methylthieno[2,3-b]indole-2-carboxylic acid
PubChem CID2060232
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name4-methylthieno[2,3-b]indole-2-carboxylic acid
SMILESCn1c2ccccc2c2cc(C(=O)O)sc21
InChIInChI=1S/C12H9NO2S/c1-13-9-5-3-2-4-7(9)8-6-10(12(14)15)16-11(8)13/h2-6H,1H3,(H,14,15)
InChIKeyJHFVKRLBHYSSBD-UHFFFAOYSA-N
XLogP3.09
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylthieno[2,3-b]indole-2-carboxylic acid?
The IUPAC name of 4-methylthieno[2,3-b]indole-2-carboxylic acid (CID 2060232) is 4-methylthieno[2,3-b]indole-2-carboxylic acid.
What is the SMILES notation for 4-methylthieno[2,3-b]indole-2-carboxylic acid?
The canonical SMILES for 4-methylthieno[2,3-b]indole-2-carboxylic acid is Cn1c2ccccc2c2cc(C(=O)O)sc21.
What is the InChIKey of 4-methylthieno[2,3-b]indole-2-carboxylic acid?
The InChIKey is JHFVKRLBHYSSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c1-13-9-5-3-2-4-7(9)8-6-10(12(14)15)16-11(8)13/h2-6H,1H3,(H,14,15).
What are the key properties of 4-methylthieno[2,3-b]indole-2-carboxylic acid?
4-methylthieno[2,3-b]indole-2-carboxylic acid has a molecular weight of 231.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthieno[2,3-b]indole-2-carboxylic acid is sourced from PubChem (CID 2060232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).