UCSF

ZINC00050705

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: Ethyl 2-amino-1,3-benzothiazole-6-carboxylate Ethyl 2-amino-1,3-benzothiazole-…

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CAS Numbers: 134136-00-8 , 50850-93-6 , [50850-93-6]

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Vendors

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) 2.50 -1.34 -8.55 2 4 0 65 222.269 3 ↓
Lo Low (pH 4.5-6) 2.50 -1.28 -34.36 3 4 1 66 223.277 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 241 - 243 KeyOrganics
Melting_Point 241-245? Alfa-Aesar
MP 241° Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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