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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3184806
CHEMBL3184806
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2H4N2S2

Additional synonyms for CHEMBL3184806 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=S)C(=S)N
Standard InChI InChI=1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)
Standard InChI Key OAEGRYMCJYIXQT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3184806

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
120.2 119.9816 -0.44 0 52.04 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.33 1.14 -.19 -.19 0 6 0.43

Structural Alerts

There are 3 structural alerts for CHEMBL3184806. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OAEGRYMCJYIXQT-UHFFFAOYSA-N
PubChem SID: 144207965

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3184806



ACToR 7275-92-5 79-40-3
eMolecules 502931
EPA CompTox Dashboard DTXSID3020546
FDA SRS HE28T8Z08D
IBM Patent System D7ED9D413C764A3A060A5AADF282F580
Mcule MCULE-3109255800
MolPort MolPort-001-763-747
Nikkaji J4.882H
PubChem 2777982
PubChem: Thomson Pharma 14747564
SureChEMBL SCHEMBL259606
ZINC ZINC000004695122

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