2-thiophen-2-yl-1H-indole

C12H9NS — CID 2795653

IUPAC2-thiophen-2-yl-1H-indole
SMILESc1csc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C12H9NS/c1-2-5-10-9(4-1)8-11(13-10)12-6-3-7-14-12/h1-8,13H
InChIKeyYKSQPGLJCBOZNG-UHFFFAOYSA-N
MW199.28 g/mol
LogP3.90
Rot. Bonds1

About 2-thiophen-2-yl-1H-indole

2-thiophen-2-yl-1H-indole (PubChem CID 2795653) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-thiophen-2-yl-1H-indole.

Molecular Properties

Compound Name2-thiophen-2-yl-1H-indole
PubChem CID2795653
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name2-thiophen-2-yl-1H-indole
SMILESc1csc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C12H9NS/c1-2-5-10-9(4-1)8-11(13-10)12-6-3-7-14-12/h1-8,13H
InChIKeyYKSQPGLJCBOZNG-UHFFFAOYSA-N
XLogP3.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1H-indole?
The IUPAC name of 2-thiophen-2-yl-1H-indole (CID 2795653) is 2-thiophen-2-yl-1H-indole.
What is the SMILES notation for 2-thiophen-2-yl-1H-indole?
The canonical SMILES for 2-thiophen-2-yl-1H-indole is c1csc(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-thiophen-2-yl-1H-indole?
The InChIKey is YKSQPGLJCBOZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-2-5-10-9(4-1)8-11(13-10)12-6-3-7-14-12/h1-8,13H.
What are the key properties of 2-thiophen-2-yl-1H-indole?
2-thiophen-2-yl-1H-indole has a molecular weight of 199.28 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1H-indole is sourced from PubChem (CID 2795653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).