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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL254951
CHEMBL254951
Compound Name 2-MERCAPTOETHANOL
ChEMBL Synonyms 2-Mercaptoethanol | Beta-Mercaptoethanol
Max Phase 0
Trade Names
Molecular Formula C2H6OS

Additional synonyms for CHEMBL254951 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCS
Standard InChI InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
Standard InChI Key DGVVWUTYPXICAM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL254951

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
78.1 78.0139 0.07 1 59.03 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.64 - -.23 -.23 0 4 0.44

Structural Alerts

There are 6 structural alerts for CHEMBL254951. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DGVVWUTYPXICAM-UHFFFAOYSA-N
Wikipedia 2-Mercaptoethanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL254951



ACToR 60-24-2
BindingDB 7971
Brenda 31655 112566 63 18188 104284 773 51103 95173 98050 1623 71579
ChEBI 41218
DrugBank DB03345
eMolecules 516414
EPA CompTox Dashboard DTXSID4026343
FDA SRS 14R9K67URN
KEGG Ligand C00928
Mcule MCULE-2252943288
MolPort MolPort-003-938-002
Nikkaji J1.396J
NMRShiftDB 10016661
PDBe BME
PubChem 1567
PubChem: Thomson Pharma 14769229
SureChEMBL SCHEMBL5702
ZINC ZINC000008216595

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