5-chlorothieno[3,2-b]thiophene

C6H3ClS2 — CID 66608670

IUPAC5-chlorothieno[3,2-b]thiophene
SMILESClc1cc2sccc2s1
InChIInChI=1S/C6H3ClS2/c7-6-3-5-4(9-6)1-2-8-5/h1-3H
InChIKeyJHJAVTDTHYISNR-UHFFFAOYSA-N
MW174.68 g/mol
LogP3.62
Rot. Bonds

About 5-chlorothieno[3,2-b]thiophene

5-chlorothieno[3,2-b]thiophene (PubChem CID 66608670) has the molecular formula C6H3ClS2 and a molecular weight of 174.68 g/mol. Its IUPAC name is 5-chlorothieno[3,2-b]thiophene.

Molecular Properties

Compound Name5-chlorothieno[3,2-b]thiophene
PubChem CID66608670
Molecular FormulaC6H3ClS2
Molecular Weight174.68 g/mol
Exact Mass173.94
IUPAC Name5-chlorothieno[3,2-b]thiophene
SMILESClc1cc2sccc2s1
InChIInChI=1S/C6H3ClS2/c7-6-3-5-4(9-6)1-2-8-5/h1-3H
InChIKeyJHJAVTDTHYISNR-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.68
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chlorothieno[3,2-b]thiophene?
The IUPAC name of 5-chlorothieno[3,2-b]thiophene (CID 66608670) is 5-chlorothieno[3,2-b]thiophene.
What is the SMILES notation for 5-chlorothieno[3,2-b]thiophene?
The canonical SMILES for 5-chlorothieno[3,2-b]thiophene is Clc1cc2sccc2s1.
What is the InChIKey of 5-chlorothieno[3,2-b]thiophene?
The InChIKey is JHJAVTDTHYISNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClS2/c7-6-3-5-4(9-6)1-2-8-5/h1-3H.
What are the key properties of 5-chlorothieno[3,2-b]thiophene?
5-chlorothieno[3,2-b]thiophene has a molecular weight of 174.68 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorothieno[3,2-b]thiophene is sourced from PubChem (CID 66608670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).