2-chloro-5-thiophen-2-ylthiophene

C8H5ClS2 — CID 12501450

IUPAC2-chloro-5-thiophen-2-ylthiophene
SMILESClc1ccc(-c2cccs2)s1
InChIInChI=1S/C8H5ClS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
InChIKeyAWEXRBQGAXYMCH-UHFFFAOYSA-N
MW200.72 g/mol
LogP4.13
Rot. Bonds1

About 2-chloro-5-thiophen-2-ylthiophene

2-chloro-5-thiophen-2-ylthiophene (PubChem CID 12501450) has the molecular formula C8H5ClS2 and a molecular weight of 200.72 g/mol. Its IUPAC name is 2-chloro-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-chloro-5-thiophen-2-ylthiophene
PubChem CID12501450
Molecular FormulaC8H5ClS2
Molecular Weight200.72 g/mol
Exact Mass199.95
IUPAC Name2-chloro-5-thiophen-2-ylthiophene
SMILESClc1ccc(-c2cccs2)s1
InChIInChI=1S/C8H5ClS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
InChIKeyAWEXRBQGAXYMCH-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.72
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-thiophen-2-ylthiophene?
The IUPAC name of 2-chloro-5-thiophen-2-ylthiophene (CID 12501450) is 2-chloro-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-chloro-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-chloro-5-thiophen-2-ylthiophene is Clc1ccc(-c2cccs2)s1.
What is the InChIKey of 2-chloro-5-thiophen-2-ylthiophene?
The InChIKey is AWEXRBQGAXYMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H.
What are the key properties of 2-chloro-5-thiophen-2-ylthiophene?
2-chloro-5-thiophen-2-ylthiophene has a molecular weight of 200.72 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-thiophen-2-ylthiophene is sourced from PubChem (CID 12501450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).