UCSF

ZINC02569169

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 4-Isopropyl-5-thien-2-yl-4H-1,2,4-triazole-3-thiol 4-Isopropyl-5-thien-2-yl-4H-1,2,…

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CAS Numbers: 667412-77-3 , [667412-77-3]

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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) 2.81 7.07 -44.98 0 3 -1 31 224.334 2 ↓
Mid Mid (pH 6-8) 2.08 6.84 -8.73 1 3 0 34 225.342 2 ↓

Vendor Notes

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

Activity (Go SEA)

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