UCSF

ZINC02536876

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

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

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CAS Numbers: 127378-26-1 , [127378-26-1]

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) 2.71 5.02 -38.9 0 2 -1 36 234.325 1 ↓
Lo Low (pH 4.5-6) 2.25 6.12 -8.26 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% )