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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3182458
CHEMBL3182458
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C4H10S

Additional synonyms for CHEMBL3182458 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)S
Standard InChI InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
Standard InChI Key WMXCDAVJEZZYLT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3182458

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
90.2 90.0503 1.71 0 0 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.4 - 2.21 2.21 0 5 0.43

Structural Alerts

There are 6 structural alerts for CHEMBL3182458. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WMXCDAVJEZZYLT-UHFFFAOYSA-N
PubChem SID: 144208072

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3182458



ACToR 75-66-1 16528-55-5
Brenda 97202
eMolecules 478190
EPA CompTox Dashboard DTXSID0026418
FDA SRS 489PW92WIV
IBM Patent System 33E3734C61F489DE8627E1A7C378D226
Mcule MCULE-6147507012
MolPort MolPort-003-925-854
Nikkaji J4.161K
NMRShiftDB 10016627
PubChem 6387
PubChem: Thomson Pharma 14747382
SureChEMBL SCHEMBL5928
ZINC ZINC000004706566

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