4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol

C17H10OS4 — CID 141443745

IUPAC4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol
SMILESOC1c2ccsc2-c2sc(-c3cccs3)c(-c3cccs3)c21
InChIInChI=1S/C17H10OS4/c18-14-9-5-8-21-15(9)17-13(14)12(10-3-1-6-19-10)16(22-17)11-4-2-7-20-11/h1-8,14,18H
InChIKeyNOFJMWJNMIRTSG-UHFFFAOYSA-N
MW358.53 g/mol
LogP6.33
Rot. Bonds2

About 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol

4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol (PubChem CID 141443745) has the molecular formula C17H10OS4 and a molecular weight of 358.53 g/mol. Its IUPAC name is 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol.

Molecular Properties

Compound Name4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol
PubChem CID141443745
Molecular FormulaC17H10OS4
Molecular Weight358.53 g/mol
Exact Mass357.96
IUPAC Name4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol
SMILESOC1c2ccsc2-c2sc(-c3cccs3)c(-c3cccs3)c21
InChIInChI=1S/C17H10OS4/c18-14-9-5-8-21-15(9)17-13(14)12(10-3-1-6-19-10)16(22-17)11-4-2-7-20-11/h1-8,14,18H
InChIKeyNOFJMWJNMIRTSG-UHFFFAOYSA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-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 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol?
The IUPAC name of 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol (CID 141443745) is 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol.
What is the SMILES notation for 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol?
The canonical SMILES for 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol is OC1c2ccsc2-c2sc(-c3cccs3)c(-c3cccs3)c21.
What is the InChIKey of 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol?
The InChIKey is NOFJMWJNMIRTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10OS4/c18-14-9-5-8-21-15(9)17-13(14)12(10-3-1-6-19-10)16(22-17)11-4-2-7-20-11/h1-8,14,18H.
What are the key properties of 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol?
4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol has a molecular weight of 358.53 g/mol, XLogP of 6.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dithiophen-2-yl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol is sourced from PubChem (CID 141443745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).