3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol

C8H4OS3 — CID 70996638

IUPAC3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol
SMILESOc1cc2sc3ccsc3c2s1
InChIInChI=1S/C8H4OS3/c9-6-3-5-8(12-6)7-4(11-5)1-2-10-7/h1-3,9H
InChIKeyLOMYQJYRWCLMBL-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.88
Rot. Bonds

About 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol

3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol (PubChem CID 70996638) has the molecular formula C8H4OS3 and a molecular weight of 212.32 g/mol. Its IUPAC name is 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol.

Molecular Properties

Compound Name3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol
PubChem CID70996638
Molecular FormulaC8H4OS3
Molecular Weight212.32 g/mol
Exact Mass211.94
IUPAC Name3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol
SMILESOc1cc2sc3ccsc3c2s1
InChIInChI=1S/C8H4OS3/c9-6-3-5-8(12-6)7-4(11-5)1-2-10-7/h1-3,9H
InChIKeyLOMYQJYRWCLMBL-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol?
The IUPAC name of 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol (CID 70996638) is 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol.
What is the SMILES notation for 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol?
The canonical SMILES for 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol is Oc1cc2sc3ccsc3c2s1.
What is the InChIKey of 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol?
The InChIKey is LOMYQJYRWCLMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4OS3/c9-6-3-5-8(12-6)7-4(11-5)1-2-10-7/h1-3,9H.
What are the key properties of 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol?
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol has a molecular weight of 212.32 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ol is sourced from PubChem (CID 70996638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).