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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL192899
CHEMBL192899
Compound Name METHYLPHENYLSULFIDE
ChEMBL Synonyms Methylsulfanyl-Benzene
Max Phase 0
Trade Names
Molecular Formula C7H8S

Additional synonyms for CHEMBL192899 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSc1ccccc1
Standard InChI InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
Standard InChI Key HNKJADCVZUBCPG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL192899

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
124.2 124.0347 2.41 1 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
- - 2.64 2.64 1 8 0.52

Structural Alerts

There are no structural alerts for CHEMBL192899

Compound Cross References

ChemSpider ChemSpider:HNKJADCVZUBCPG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL192899



ACToR 100-68-5
Brenda 164733 33904 4339 16799 94984 164317 162805 49206
ChEBI 134281
ChemicalBook CB9233364
eMolecules 532256
EPA CompTox Dashboard DTXSID8059217
FDA SRS BB4K737YF4
Human Metabolome Database HMDB0034448
IBM Patent System 871A4C3553182486C5F1DFE30CC14DEF
Mcule MCULE-1625959840
MolPort MolPort-000-158-636
Nikkaji J3.592K
NMRShiftDB 10016619
PDBe 16R
PubChem 7520
PubChem: Thomson Pharma 15146548
SureChEMBL SCHEMBL7584
ZINC ZINC000001688763

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