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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3186735
CHEMBL3186735
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula Cl2O2S

Additional synonyms for CHEMBL3186735 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClS(=O)(=O)Cl
Standard InChI InChI=1S/Cl2O2S/c1-5(2,3)4
Standard InChI Key YBBRCQOCSYXUOC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3186735

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
135 133.8996 0.71 0 34.14 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .22 .22 0 5 0.46

Structural Alerts

There are 14 structural alerts for CHEMBL3186735. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YBBRCQOCSYXUOC-UHFFFAOYSA-N
PubChem SID: 144207682

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3186735



ACToR 7791-25-5
ChEBI 29291
ChemicalBook CB6854360
eMolecules 483997
EPA CompTox Dashboard DTXSID6029707
FDA SRS JD26K0R3J1
MolPort MolPort-001-790-559
Nikkaji J95.299K
PubChem 24648
PubChem: Thomson Pharma 14940560
SureChEMBL SCHEMBL254
ZINC ZINC000242723011

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