UCSF

ZINC03027588

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 15 No

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

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CAS Numbers: 50459-52-4 , [50459-52-4]

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) 2.68 4.25 -40.37 0 2 -1 36 234.325 1 ↓
Lo Low (pH 4.5-6) 2.23 6.04 -7.77 1 2 0 33 235.333 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )