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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL260876
CHEMBL260876
Compound Name THIOUREA
ChEMBL Synonyms Thiourea
Max Phase 0
Trade Names
Molecular Formula CH4N2S

Additional synonyms for CHEMBL260876 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=S)N
Standard InChI InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
Standard InChI Key UMGDCJDMYOKAJW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL260876

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 76.0095 -0.21 0 84.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 2 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.44 -1.02 -1.02 0 4 0.38

Structural Alerts

There are 5 structural alerts for CHEMBL260876. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UMGDCJDMYOKAJW-UHFFFAOYSA-N
PubChem SID: 144209071 SID: 144213084 SID: 17389709 SID: 85148783
Wikipedia Thiourea

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL260876



ACToR 17370-85-3 62-56-6
BindingDB 50229993
Brenda 844
ChEBI 36946
eMolecules 484431
EPA CompTox Dashboard DTXSID9021348
FDA SRS GYV9AM2QAG
Human Metabolome Database HMDB0034155
KEGG Ligand C14415
Mcule MCULE-5046264236
MolPort MolPort-000-872-069
Nikkaji J2.351E
PDBe TOU
PubChem 2723790
PubChem: Thomson Pharma 49757154 15170359
SureChEMBL SCHEMBL1008
ZINC ZINC000008437745

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