UCSF

ZINC00167626

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Popular Name: 4-Amino-2-cyano-3'-(trifluoromethyl)diphenyl thioether 4-Amino-2-cyano-3'-(trifluoromet…

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CAS Number: 320421-51-0

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) 3.54 2.45 -8.88 2 2 0 49 294.301 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 78 - 80 KeyOrganics
MP 78-80° Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.