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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1235793
CHEMBL1235793
Compound Name TRISULFANE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula H2S3

Additional synonyms for CHEMBL1235793 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES SSS
Standard InChI InChI=1S/H2S3/c1-3-2/h1-2H
Standard InChI Key KBMBVTRWEAAZEY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1235793

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
98.2 97.9319 1.61 0 102.9 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 0 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.83 - 1.24 -.35 0 3 0.36

Structural Alerts

There are 13 structural alerts for CHEMBL1235793. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KBMBVTRWEAAZEY-UHFFFAOYSA-N
Wikipedia Trisulfane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1235793



ACToR 12597-04-5
ChEBI 50365
Nikkaji J95.180C
PDBe S3H
PubChem 166718
SureChEMBL SCHEMBL36954

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KBMBVTRWEAAZEY-UHFFFAOYSA-N spacer
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