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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL406270
CHEMBL406270
Compound Name DITHIOTHREITOL
ChEMBL Synonyms Dithiothreitol
Max Phase 0
Trade Names
Molecular Formula C4H10O2S2

Additional synonyms for CHEMBL406270 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H](CS)[C@@H](O)CS
Standard InChI InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
Standard InChI Key VHJLVAABSRFDPM-IMJSIDKUSA-N

Structural Alerts

There are 6 structural alerts for CHEMBL406270. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL406270

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
154.3 154.0122 0.02 3 118.06 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.28 - .12 .11 0 8 0.43

Compound Cross References

ChemSpider ChemSpider:VHJLVAABSRFDPM-IMJSIDKUSA-N
Wikipedia Dithiothreitol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL406270



ChEBI 42106
eMolecules 537809
Human Metabolome Database HMDB13593
IBM Patent System D0F36C94EDA3679C3F225528B7F74029
KEGG Ligand C00265
MolPort MolPort-003-941-214
Nikkaji J64.634B
PDBe DTT
PubChem 439196
PubChem: Thomson Pharma 81069874
Recon dtt
SureChEMBL SCHEMBL538995
ZINC ZINC00895149

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