UCSF

ZINC00156286

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 3-Amino-4-(methylthio)benzotrifluoride 3-Amino-4-(methylthio)benzotrifl…

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CAS Numbers: 207974-07-0 , [207974-07-0]

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) 2.68 1.19 -3.46 2 1 0 26 207.22 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 111-112?/12mm Alfa-Aesar
BP 111-112°/12mm Matrix Scientific
BP 111-113°/12mm Oakwood Chemical
BP 111-113°/12mmHg Fluorochem
BP 112 / 12 TCI
Purity 97% Matrix Scientific
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

Activity (Go SEA)

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