UCSF

ZINC02380704

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 10 Yes

Popular Name: 3-Chloro-1,2-benzisothiazole 3-Chloro-1,2-benzisothiazole

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CAS Numbers: 7716-66-7 , [7716-66-7]

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) 3.17 -0.64 -5.63 0 1 0 12 169.636 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 37-44? Alfa-Aesar
MP 38 - 40 Enamine Building Blocks
Melting_Point 38-39? Alfa-Aesar
Melting_Point 38-39° Alfa-Aesar
MP 38...40 Enamine Building Blocks
MP 41 TCI
Boiling_Point 80-86?/0.75mm Alfa-Aesar
Boiling_Point 80-86°/0.75mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 99% APIChem

Activity (Go SEA)

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