UCSF

ZINC06511561

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 14 No

Popular Name: 1-(3-(Trifluoromethyl)phenyl)thiourea 1-(3-(Trifluoromethyl)phenyl)thi…

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CAS Numbers: 1736-70-5 , [1736-70-5]

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) 1.85 4.39 -15.24 3 2 0 38 220.219 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 103-106? Alfa-Aesar
Melting_Point 103-106° Alfa-Aesar
MP 104-106° Oakwood Chemical
melting_point 107 - 109 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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