5-thiophen-2-ylthiophene-2-thiol

C8H6S3 — CID 10058576

IUPAC5-thiophen-2-ylthiophene-2-thiol
SMILESSc1ccc(-c2cccs2)s1
InChIInChI=1S/C8H6S3/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5,9H
InChIKeyABZATYIPXKNPRZ-UHFFFAOYSA-N
MW198.34 g/mol
LogP3.77
Rot. Bonds1

About 5-thiophen-2-ylthiophene-2-thiol

5-thiophen-2-ylthiophene-2-thiol (PubChem CID 10058576) has the molecular formula C8H6S3 and a molecular weight of 198.34 g/mol. Its IUPAC name is 5-thiophen-2-ylthiophene-2-thiol.

Molecular Properties

Compound Name5-thiophen-2-ylthiophene-2-thiol
PubChem CID10058576
Molecular FormulaC8H6S3
Molecular Weight198.34 g/mol
Exact Mass197.96
IUPAC Name5-thiophen-2-ylthiophene-2-thiol
SMILESSc1ccc(-c2cccs2)s1
InChIInChI=1S/C8H6S3/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5,9H
InChIKeyABZATYIPXKNPRZ-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylthiophene-2-thiol?
The IUPAC name of 5-thiophen-2-ylthiophene-2-thiol (CID 10058576) is 5-thiophen-2-ylthiophene-2-thiol.
What is the SMILES notation for 5-thiophen-2-ylthiophene-2-thiol?
The canonical SMILES for 5-thiophen-2-ylthiophene-2-thiol is Sc1ccc(-c2cccs2)s1.
What is the InChIKey of 5-thiophen-2-ylthiophene-2-thiol?
The InChIKey is ABZATYIPXKNPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S3/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5,9H.
What are the key properties of 5-thiophen-2-ylthiophene-2-thiol?
5-thiophen-2-ylthiophene-2-thiol has a molecular weight of 198.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylthiophene-2-thiol is sourced from PubChem (CID 10058576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).