UCSF

ZINC02584298

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 No

Popular Name: 3,5-Bis(trifluoromethyl)benzenethiol 3,5-Bis(trifluoromethyl)benzenet…

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CAS Numbers: 130783-02-7 , [130783-02-7]

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) 3.89 3.71 -34.2 0 0 -1 0 245.167 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 63-64?/15mm Alfa-Aesar
Boiling_Point 63-64°/15mm Alfa-Aesar
BP 64°/15mm Matrix Scientific
Purity 95% Matrix Scientific
Warnings IRRITANT, AIR SENSITIVE, STENCH Matrix Scientific
Warnings Toxic/Stench/Air Sensitive Matrix Scientific

Activity (Go SEA)

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

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