3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide

C8H4OS3 — CID 66991980

IUPAC3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide
SMILESO=S1C=Cc2sc3sccc3c21
InChIInChI=1S/C8H4OS3/c9-12-4-2-6-7(12)5-1-3-10-8(5)11-6/h1-4H
InChIKeyRXYHAZIYALBVMN-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.05
Rot. Bonds

About 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide

3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide (PubChem CID 66991980) has the molecular formula C8H4OS3 and a molecular weight of 212.32 g/mol. Its IUPAC name is 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide.

Molecular Properties

Compound Name3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide
PubChem CID66991980
Molecular FormulaC8H4OS3
Molecular Weight212.32 g/mol
Exact Mass211.94
IUPAC Name3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide
SMILESO=S1C=Cc2sc3sccc3c21
InChIInChI=1S/C8H4OS3/c9-12-4-2-6-7(12)5-1-3-10-8(5)11-6/h1-4H
InChIKeyRXYHAZIYALBVMN-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide?
The IUPAC name of 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide (CID 66991980) is 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide.
What is the SMILES notation for 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide?
The canonical SMILES for 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide is O=S1C=Cc2sc3sccc3c21.
What is the InChIKey of 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide?
The InChIKey is RXYHAZIYALBVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4OS3/c9-12-4-2-6-7(12)5-1-3-10-8(5)11-6/h1-4H.
What are the key properties of 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide?
3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide has a molecular weight of 212.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3λ4,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene 3-oxide is sourced from PubChem (CID 66991980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).