UCSF

ZINC18106013

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 13 No

Popular Name: 5-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol 5-(3-methylphenyl)-4H-1,2,4-tria…

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CAS Numbers: , 75218-27-8 , [75218-27-8]

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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) 2.65 5.87 -44.27 1 3 -1 42 190.251 1 ↓
Mid Mid (pH 6-8) 2.65 5.97 -23.31 2 3 0 43 191.259 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% )