UCSF

ZINC05117174

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 16 No

Popular Name: 1-(4-Trifluoromethylphenyl)imidazoline-2-thione 1-(4-Trifluoromethylphenyl)imida…

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CAS Numbers: 17452-18-5 , [17452-18-5]

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) 2.15 8.12 -17.31 1 2 0 21 244.241 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 194-196° Fluorochem
MP 199-201° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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

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