UCSF

ZINC02536865

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 16 No

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

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CAS Numbers: 81154-09-8 , [81154-09-8]

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) 2.29 3.74 -39.92 0 3 -1 45 250.324 2 ↓
Lo Low (pH 4.5-6) 1.83 4.83 -7.88 1 3 0 42 251.332 2 ↓

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% )