UCSF

ZINC01735561

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 11 No

Popular Name: 2-(Chloromethyl)-1,3-benzothiazole 2-(Chloromethyl)-1,3-benzothiazole

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CAS Numbers: 1215284-39-1 , 37859-43-1 , [37859-43-1]

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) 2.68 -0.84 -7.04 0 1 0 13 183.663 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 102°/0.5mm Matrix Scientific
Melting_Point 34? Alfa-Aesar
MP 34° Oakwood Chemical
BP 88-90°/0.0mm Oakwood Chemical
Boiling_Point 88-99?/0.3mm Alfa-Aesar
Purity 95% Fluorochem
Purity >95% Matrix Scientific
melting_point BP: 102 @ 0 mBar KeyOrganics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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