4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C12H6S4 — CID 11346486

IUPAC4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1csc(-c2cc3sc4ccsc4c3s2)c1
InChIInChI=1S/C12H6S4/c1-2-7(13-4-1)9-6-10-12(16-9)11-8(15-10)3-5-14-11/h1-6H
InChIKeySGBXUIYIRNZTFI-UHFFFAOYSA-N
MW278.45 g/mol
LogP5.91
Rot. Bonds1

About 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 11346486) has the molecular formula C12H6S4 and a molecular weight of 278.45 g/mol. Its IUPAC name is 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID11346486
Molecular FormulaC12H6S4
Molecular Weight278.45 g/mol
Exact Mass277.94
IUPAC Name4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESc1csc(-c2cc3sc4ccsc4c3s2)c1
InChIInChI=1S/C12H6S4/c1-2-7(13-4-1)9-6-10-12(16-9)11-8(15-10)3-5-14-11/h1-6H
InChIKeySGBXUIYIRNZTFI-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.45
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 11346486) is 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is c1csc(-c2cc3sc4ccsc4c3s2)c1.
What is the InChIKey of 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is SGBXUIYIRNZTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6S4/c1-2-7(13-4-1)9-6-10-12(16-9)11-8(15-10)3-5-14-11/h1-6H.
What are the key properties of 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 278.45 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 11346486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).