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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1365180
CHEMBL1365180
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CS2

Additional synonyms for CHEMBL1365180 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES S=C=S
Standard InChI InChI=1S/CS2/c2-1-3
Standard InChI Key QGJOPFRUJISHPQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1365180

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
76.1 75.9441 1.02 0 0 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.94 1.94 0 3 0.39

Structural Alerts

There are 4 structural alerts for CHEMBL1365180. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QGJOPFRUJISHPQ-UHFFFAOYSA-N
PubChem SID: 144204633 SID: 144208366 SID: 17389122

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1365180



ACToR 355120-85-3 12539-80-9 75-15-0
Brenda 35044 10417
ChEBI 23012
ChemicalBook CB6279761
eMolecules 481266
EPA CompTox Dashboard DTXSID6023947
FDA SRS S54S8B99E8
Human Metabolome Database HMDB0036574
KEGG Ligand C19033
MolPort MolPort-001-768-563
Nikkaji J1.441I
PubChem 6348
PubChem: Thomson Pharma 14747332
Rhea 23012
SureChEMBL SCHEMBL6231

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