2-(5-chlorothiophen-2-yl)-1H-indole

C12H8ClNS — CID 56687027

IUPAC2-(5-chlorothiophen-2-yl)-1H-indole
SMILESClc1ccc(-c2cc3ccccc3[nH]2)s1
InChIInChI=1S/C12H8ClNS/c13-12-6-5-11(15-12)10-7-8-3-1-2-4-9(8)14-10/h1-7,14H
InChIKeyVHQJOTSBQJDZBA-UHFFFAOYSA-N
MW233.72 g/mol
LogP4.55
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-1H-indole

2-(5-chlorothiophen-2-yl)-1H-indole (PubChem CID 56687027) has the molecular formula C12H8ClNS and a molecular weight of 233.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1H-indole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1H-indole
PubChem CID56687027
Molecular FormulaC12H8ClNS
Molecular Weight233.72 g/mol
Exact Mass233.01
IUPAC Name2-(5-chlorothiophen-2-yl)-1H-indole
SMILESClc1ccc(-c2cc3ccccc3[nH]2)s1
InChIInChI=1S/C12H8ClNS/c13-12-6-5-11(15-12)10-7-8-3-1-2-4-9(8)14-10/h1-7,14H
InChIKeyVHQJOTSBQJDZBA-UHFFFAOYSA-N
XLogP4.55
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1H-indole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1H-indole (CID 56687027) is 2-(5-chlorothiophen-2-yl)-1H-indole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1H-indole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1H-indole is Clc1ccc(-c2cc3ccccc3[nH]2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1H-indole?
The InChIKey is VHQJOTSBQJDZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNS/c13-12-6-5-11(15-12)10-7-8-3-1-2-4-9(8)14-10/h1-7,14H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1H-indole?
2-(5-chlorothiophen-2-yl)-1H-indole has a molecular weight of 233.72 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1H-indole is sourced from PubChem (CID 56687027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).