UCSF

ZINC16971973

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 14 No

Popular Name: (5E)-5-benzylidene-2-mercapto-1,3-thiazol-4(5H)-one (5E)-5-benzylidene-2-mercapto-1,…

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CAS Numbers: 174813-24-2 , [174813-24-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 4.36 -39.13 0 2 -1 36 220.298 1 ↓
Lo Low (pH 4.5-6) 1.83 5.46 -8.49 1 2 0 33 221.306 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000010573A1 IBM Patent Data

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