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

C8H4S3 — CID 131860132

IUPAC4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILES[3H]c1cc2sc3ccsc3c2s1
InChIInChI=1S/C8H4S3/c1-3-9-7-5(1)11-6-2-4-10-8(6)7/h1-4H/i3T
InChIKeyVGWBXRXNERKBSJ-WJULDGBESA-N
MW198.33 g/mol
LogP4.18
Rot. Bonds

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

4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 131860132) has the molecular formula C8H4S3 and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID131860132
Molecular FormulaC8H4S3
Molecular Weight198.33 g/mol
Exact Mass197.96
IUPAC Name4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILES[3H]c1cc2sc3ccsc3c2s1
InChIInChI=1S/C8H4S3/c1-3-9-7-5(1)11-6-2-4-10-8(6)7/h1-4H/i3T
InChIKeyVGWBXRXNERKBSJ-WJULDGBESA-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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Related Compounds

4-tritio-3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
CID 131860128
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4-thiol
CID 175953151
thieno[3,2-b][1]benzothiole
CID 605457
4-thieno[3,2-b]thiophen-5-yl-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 126710615
5,6-difluorothieno[3,2-b]thiophene
CID 118537059
5,6-dibromothieno[3,2-b]thiophene
CID 66882666
dibenzothiophene;9,10-dimethylphenanthrene;3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 145347991
dimethyl-methylidene-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-λ5-phosphane
CID 157062836
10,11-dimethyl-4,8,13,17-tetrathiapentacyclo[10.6.0.02,9.03,7.014,18]octadeca-1(12),2(9),3(7),5,10,14(18),15-heptaene
CID 58463273
3,7,9-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene;hydrobromide
CID 67340695
CID 58455822
CID 58455822
5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1,3(16),4(14),6(13),7(11),9,17,19(29),21(28),22(26),24-undecaene
CID 137421927

Frequently Asked Questions

What is the IUPAC name of 4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 131860132) is 4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is [3H]c1cc2sc3ccsc3c2s1.
What is the InChIKey of 4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is VGWBXRXNERKBSJ-WJULDGBESA-N. The full InChI is InChI=1S/C8H4S3/c1-3-9-7-5(1)11-6-2-4-10-8(6)7/h1-4H/i3T.
What are the key properties of 4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4-tritio-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-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-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 131860132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).