2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid

C12H9NO2S — CID 12839105

IUPAC2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid
SMILESCc1sc2c([nH]c3ccccc32)c1C(=O)O
InChIInChI=1S/C12H9NO2S/c1-6-9(12(14)15)10-11(16-6)7-4-2-3-5-8(7)13-10/h2-5,13H,1H3,(H,14,15)
InChIKeyOUWOEZQDUQFHCS-UHFFFAOYSA-N
MW231.28 g/mol
LogP3.39
Rot. Bonds1

About 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid

2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid (PubChem CID 12839105) has the molecular formula C12H9NO2S and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid
PubChem CID12839105
Molecular FormulaC12H9NO2S
Molecular Weight231.28 g/mol
Exact Mass231.04
IUPAC Name2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid
SMILESCc1sc2c([nH]c3ccccc32)c1C(=O)O
InChIInChI=1S/C12H9NO2S/c1-6-9(12(14)15)10-11(16-6)7-4-2-3-5-8(7)13-10/h2-5,13H,1H3,(H,14,15)
InChIKeyOUWOEZQDUQFHCS-UHFFFAOYSA-N
XLogP3.39
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(9H-carbazole-1-carbonyl)benzoic acid
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2,3,5-trimethyl-6H-thieno[3,2-c]carbazole
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2-chloro-9H-carbazole-1-carboxylic acid
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2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
9H-carbazole;carbonic acid
CID 67577328
3-hydroxy-9H-carbazole-1-carboxylic acid
CID 154084192
2-(1-methyl-9H-carbazol-2-yl)acetic acid
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2-carbamoyl-1H-indole-3-carboxylic acid
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4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid?
The IUPAC name of 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid (CID 12839105) is 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid?
The canonical SMILES for 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid is Cc1sc2c([nH]c3ccccc32)c1C(=O)O.
What is the InChIKey of 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid?
The InChIKey is OUWOEZQDUQFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2S/c1-6-9(12(14)15)10-11(16-6)7-4-2-3-5-8(7)13-10/h2-5,13H,1H3,(H,14,15).
What are the key properties of 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid?
2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid has a molecular weight of 231.28 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid is sourced from PubChem (CID 12839105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).