UCSF

ZINC01311506

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Substance Information

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

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

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CAS Numbers: 81154-18-9 , [81154-18-9]

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) 2.96 4.88 -37.26 0 2 -1 36 254.743 1 ↓
Lo Low (pH 4.5-6) 2.50 5.98 -9.18 1 2 0 33 255.751 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% )