UCSF

ZINC00128851

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: Ethyl 1,3-benzothiazole-2-carboxylate Ethyl 1,3-benzothiazole-2-carbox…

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CAS Numbers: , 32137-76-1 , [32137-76-1]

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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) 2.31 5.7 -8.53 0 3 0 39 207.254 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 66 - 68 KeyOrganics
Melting_Point 68-72? Alfa-Aesar
Melting_Point 68-72° Alfa-Aesar
MP 69 - 71 Enamine Building Blocks
MP 69...71 Enamine Building Blocks
MP 71-72° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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