UCSF

ZINC00156253

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: (4-Methylphenylthio)acetone (4-Methylphenylthio)acetone

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CAS Numbers: 1200-13-1 , [1200-13-1]

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) 2.37 1.38 -8.11 0 1 0 17 180.272 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Boiling_Point 96-98?/0.1mm Alfa-Aesar
Boiling_Point 96-98°/0.1mm Alfa-Aesar
Warnings STENCH Matrix Scientific

Activity (Go SEA)

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