UCSF

ZINC02510249

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: 3,5-dimethylbenzo[b]thiophene 3,5-dimethylbenzo[b]thiophene

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CAS Numbers: 1964-45-0 , [1964-45-0]

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) 3.71 1.13 -4.14 0 0 0 0 162.257 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 62-64?/0.1mm Alfa-Aesar
Boiling_Point 62-64°/0.1mm Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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