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

C8H4S3 — CID 131860128

IUPAC4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
SMILES[3H]c1cc2sc3sccc3c2s1
InChIInChI=1S/C8H4S3/c1-3-10-8-5(1)7-6(11-8)2-4-9-7/h1-4H/i4T
InChIKeyHKNRNTYTYUWGLN-IBTRZKOZSA-N
MW198.33 g/mol
LogP4.18
Rot. Bonds

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

4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene (PubChem CID 131860128) has the molecular formula C8H4S3 and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene.

Molecular Properties

Compound Name4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
PubChem CID131860128
Molecular FormulaC8H4S3
Molecular Weight198.33 g/mol
Exact Mass197.96
IUPAC Name4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
SMILES[3H]c1cc2sc3sccc3c2s1
InChIInChI=1S/C8H4S3/c1-3-10-8-5(1)7-6(11-8)2-4-9-7/h1-4H/i4T
InChIKeyHKNRNTYTYUWGLN-IBTRZKOZSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene?
The IUPAC name of 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene (CID 131860128) is 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene.
What is the SMILES notation for 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene?
The canonical SMILES for 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene is [3H]c1cc2sc3sccc3c2s1.
What is the InChIKey of 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene?
The InChIKey is HKNRNTYTYUWGLN-IBTRZKOZSA-N. The full InChI is InChI=1S/C8H4S3/c1-3-10-8-5(1)7-6(11-8)2-4-9-7/h1-4H/i4T.
What are the key properties of 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene?
4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene has a molecular weight of 198.33 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene is sourced from PubChem (CID 131860128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).