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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL219876
CHEMBL219876
Compound Name DIPHENYLSULFANE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H10S

Additional synonyms for CHEMBL219876 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES S(c1ccccc1)c2ccccc2
Standard InChI InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
Standard InChI Key LTYMSROWYAPPGB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL219876

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
186.3 186.0503 3.84 2 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 0 0 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.11 3.11 2 13 0.69

Structural Alerts

There are no structural alerts for CHEMBL219876

Compound Cross References

ChemSpider ChemSpider:LTYMSROWYAPPGB-UHFFFAOYSA-N
PubChem SID: 144212499

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL219876



ACToR 139-66-2
Brenda 44062 32626 108884
ChEBI 38959
ChemicalBook CB1727212
eMolecules 501577
EPA CompTox Dashboard DTXSID8044383
FDA SRS B5P3Y93MNR
IBM Patent System 71779C544E61ED418717834E1168805B
Mcule MCULE-3554308551
MolPort MolPort-001-761-344
Nikkaji J2.023K
NMRShiftDB 10006146
PubChem 8766
PubChem: Thomson Pharma 14772842
SureChEMBL SCHEMBL452
ZINC ZINC000001679972

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