UCSF

ZINC00405841

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: 2,5,6-Trimethylbenzothiazole 2,5,6-Trimethylbenzothiazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5683-41-0 , [5683-41-0]

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) 2.89 5.88 -7.08 0 1 0 13 177.272 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 143 / 5 TCI
Boiling_Point 143?/5mm Alfa-Aesar
Boiling_Point 143°/5mm Alfa-Aesar
MP 81 - 83 Enamine Building Blocks
MP 81...83 Enamine Building Blocks
Melting_Point 83-85? Alfa-Aesar
Melting_Point 83-85° Alfa-Aesar
MP 85 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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