3-(2-thiophen-3-ylethynyl)thiophene

C10H6S2 — CID 11401258

IUPAC3-(2-thiophen-3-ylethynyl)thiophene
SMILESC(#Cc1ccsc1)c1ccsc1
InChIInChI=1S/C10H6S2/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h3-8H
InChIKeyHHQGKRAXRSELOL-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.21
Rot. Bonds

About 3-(2-thiophen-3-ylethynyl)thiophene

3-(2-thiophen-3-ylethynyl)thiophene (PubChem CID 11401258) has the molecular formula C10H6S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(2-thiophen-3-ylethynyl)thiophene.

Molecular Properties

Compound Name3-(2-thiophen-3-ylethynyl)thiophene
PubChem CID11401258
Molecular FormulaC10H6S2
Molecular Weight190.29 g/mol
Exact Mass189.99
IUPAC Name3-(2-thiophen-3-ylethynyl)thiophene
SMILESC(#Cc1ccsc1)c1ccsc1
InChIInChI=1S/C10H6S2/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h3-8H
InChIKeyHHQGKRAXRSELOL-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-3-ylethynyl)thiophene?
The IUPAC name of 3-(2-thiophen-3-ylethynyl)thiophene (CID 11401258) is 3-(2-thiophen-3-ylethynyl)thiophene.
What is the SMILES notation for 3-(2-thiophen-3-ylethynyl)thiophene?
The canonical SMILES for 3-(2-thiophen-3-ylethynyl)thiophene is C(#Cc1ccsc1)c1ccsc1.
What is the InChIKey of 3-(2-thiophen-3-ylethynyl)thiophene?
The InChIKey is HHQGKRAXRSELOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6S2/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h3-8H.
What are the key properties of 3-(2-thiophen-3-ylethynyl)thiophene?
3-(2-thiophen-3-ylethynyl)thiophene has a molecular weight of 190.29 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-3-ylethynyl)thiophene is sourced from PubChem (CID 11401258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).