UCSF

ZINC00169303

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: 5-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid 5-(trifluoromethyl)-1-benzothiop…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 244126-64-5 , [244126-64-5]

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) 3.59 1.92 -46.77 0 2 -1 40 245.201 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 192 - 194 KeyOrganics
MP 192-194° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
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.