5-thiophen-2-ylthiophen-3-ol

C8H6OS2 — CID 10058173

IUPAC5-thiophen-2-ylthiophen-3-ol
SMILESOc1csc(-c2cccs2)c1
InChIInChI=1S/C8H6OS2/c9-6-4-8(11-5-6)7-2-1-3-10-7/h1-5,9H
InChIKeyRPGZXSRDWDUXRX-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.18
Rot. Bonds1

About 5-thiophen-2-ylthiophen-3-ol

5-thiophen-2-ylthiophen-3-ol (PubChem CID 10058173) has the molecular formula C8H6OS2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-thiophen-2-ylthiophen-3-ol.

Molecular Properties

Compound Name5-thiophen-2-ylthiophen-3-ol
PubChem CID10058173
Molecular FormulaC8H6OS2
Molecular Weight182.27 g/mol
Exact Mass181.99
IUPAC Name5-thiophen-2-ylthiophen-3-ol
SMILESOc1csc(-c2cccs2)c1
InChIInChI=1S/C8H6OS2/c9-6-4-8(11-5-6)7-2-1-3-10-7/h1-5,9H
InChIKeyRPGZXSRDWDUXRX-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylthiophen-3-ol?
The IUPAC name of 5-thiophen-2-ylthiophen-3-ol (CID 10058173) is 5-thiophen-2-ylthiophen-3-ol.
What is the SMILES notation for 5-thiophen-2-ylthiophen-3-ol?
The canonical SMILES for 5-thiophen-2-ylthiophen-3-ol is Oc1csc(-c2cccs2)c1.
What is the InChIKey of 5-thiophen-2-ylthiophen-3-ol?
The InChIKey is RPGZXSRDWDUXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS2/c9-6-4-8(11-5-6)7-2-1-3-10-7/h1-5,9H.
What are the key properties of 5-thiophen-2-ylthiophen-3-ol?
5-thiophen-2-ylthiophen-3-ol has a molecular weight of 182.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylthiophen-3-ol is sourced from PubChem (CID 10058173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).