2-thiophen-2-ylthiophen-3-ol

C8H6OS2 — CID 91167344

IUPAC2-thiophen-2-ylthiophen-3-ol
SMILESOc1ccsc1-c1cccs1
InChIInChI=1S/C8H6OS2/c9-6-3-5-11-8(6)7-2-1-4-10-7/h1-5,9H
InChIKeyOMACLPUNOZFZTI-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.18
Rot. Bonds1

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

2-thiophen-2-ylthiophen-3-ol (PubChem CID 91167344) has the molecular formula C8H6OS2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-thiophen-2-ylthiophen-3-ol.

Molecular Properties

Compound Name2-thiophen-2-ylthiophen-3-ol
PubChem CID91167344
Molecular FormulaC8H6OS2
Molecular Weight182.27 g/mol
Exact Mass181.99
IUPAC Name2-thiophen-2-ylthiophen-3-ol
SMILESOc1ccsc1-c1cccs1
InChIInChI=1S/C8H6OS2/c9-6-3-5-11-8(6)7-2-1-4-10-7/h1-5,9H
InChIKeyOMACLPUNOZFZTI-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 2-thiophen-2-ylthiophen-3-ol?
The IUPAC name of 2-thiophen-2-ylthiophen-3-ol (CID 91167344) is 2-thiophen-2-ylthiophen-3-ol.
What is the SMILES notation for 2-thiophen-2-ylthiophen-3-ol?
The canonical SMILES for 2-thiophen-2-ylthiophen-3-ol is Oc1ccsc1-c1cccs1.
What is the InChIKey of 2-thiophen-2-ylthiophen-3-ol?
The InChIKey is OMACLPUNOZFZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS2/c9-6-3-5-11-8(6)7-2-1-4-10-7/h1-5,9H.
What are the key properties of 2-thiophen-2-ylthiophen-3-ol?
2-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 2-thiophen-2-ylthiophen-3-ol is sourced from PubChem (CID 91167344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).