1-(4H-thieno[2,3-b]indol-2-yl)ethanone

C12H9NOS — CID 82393823

IUPAC1-(4H-thieno[2,3-b]indol-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]c3ccccc32)s1
InChIInChI=1S/C12H9NOS/c1-7(14)11-6-9-8-4-2-3-5-10(8)13-12(9)15-11/h2-6,13H,1H3
InChIKeyWZILAIIORAARCX-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.59
Rot. Bonds1

About 1-(4H-thieno[2,3-b]indol-2-yl)ethanone

1-(4H-thieno[2,3-b]indol-2-yl)ethanone (PubChem CID 82393823) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-(4H-thieno[2,3-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4H-thieno[2,3-b]indol-2-yl)ethanone
PubChem CID82393823
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name1-(4H-thieno[2,3-b]indol-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]c3ccccc32)s1
InChIInChI=1S/C12H9NOS/c1-7(14)11-6-9-8-4-2-3-5-10(8)13-12(9)15-11/h2-6,13H,1H3
InChIKeyWZILAIIORAARCX-UHFFFAOYSA-N
XLogP3.59
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4H-thieno[2,3-b]indol-2-yl)ethanone?
The IUPAC name of 1-(4H-thieno[2,3-b]indol-2-yl)ethanone (CID 82393823) is 1-(4H-thieno[2,3-b]indol-2-yl)ethanone.
What is the SMILES notation for 1-(4H-thieno[2,3-b]indol-2-yl)ethanone?
The canonical SMILES for 1-(4H-thieno[2,3-b]indol-2-yl)ethanone is CC(=O)c1cc2c([nH]c3ccccc32)s1.
What is the InChIKey of 1-(4H-thieno[2,3-b]indol-2-yl)ethanone?
The InChIKey is WZILAIIORAARCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-7(14)11-6-9-8-4-2-3-5-10(8)13-12(9)15-11/h2-6,13H,1H3.
What are the key properties of 1-(4H-thieno[2,3-b]indol-2-yl)ethanone?
1-(4H-thieno[2,3-b]indol-2-yl)ethanone has a molecular weight of 215.28 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-thieno[2,3-b]indol-2-yl)ethanone is sourced from PubChem (CID 82393823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).