2-(trithiophen-2-ylmethyl)thiophene

C17H12S4 — CID 11371367

IUPAC2-(trithiophen-2-ylmethyl)thiophene
SMILESc1csc(C(c2cccs2)(c2cccs2)c2cccs2)c1
InChIInChI=1S/C17H12S4/c1-5-13(18-9-1)17(14-6-2-10-19-14,15-7-3-11-20-15)16-8-4-12-21-16/h1-12H
InChIKeyHQSDRRKIBJPZHF-UHFFFAOYSA-N
MW344.55 g/mol
LogP6.32
Rot. Bonds4

About 2-(trithiophen-2-ylmethyl)thiophene

2-(trithiophen-2-ylmethyl)thiophene (PubChem CID 11371367) has the molecular formula C17H12S4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 2-(trithiophen-2-ylmethyl)thiophene.

Molecular Properties

Compound Name2-(trithiophen-2-ylmethyl)thiophene
PubChem CID11371367
Molecular FormulaC17H12S4
Molecular Weight344.55 g/mol
Exact Mass343.98
IUPAC Name2-(trithiophen-2-ylmethyl)thiophene
SMILESc1csc(C(c2cccs2)(c2cccs2)c2cccs2)c1
InChIInChI=1S/C17H12S4/c1-5-13(18-9-1)17(14-6-2-10-19-14,15-7-3-11-20-15)16-8-4-12-21-16/h1-12H
InChIKeyHQSDRRKIBJPZHF-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.55
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trithiophen-2-ylmethyl)thiophene?
The IUPAC name of 2-(trithiophen-2-ylmethyl)thiophene (CID 11371367) is 2-(trithiophen-2-ylmethyl)thiophene.
What is the SMILES notation for 2-(trithiophen-2-ylmethyl)thiophene?
The canonical SMILES for 2-(trithiophen-2-ylmethyl)thiophene is c1csc(C(c2cccs2)(c2cccs2)c2cccs2)c1.
What is the InChIKey of 2-(trithiophen-2-ylmethyl)thiophene?
The InChIKey is HQSDRRKIBJPZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12S4/c1-5-13(18-9-1)17(14-6-2-10-19-14,15-7-3-11-20-15)16-8-4-12-21-16/h1-12H.
What are the key properties of 2-(trithiophen-2-ylmethyl)thiophene?
2-(trithiophen-2-ylmethyl)thiophene has a molecular weight of 344.55 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trithiophen-2-ylmethyl)thiophene is sourced from PubChem (CID 11371367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).