UCSF

ZINC08729880

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 15 Yes

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

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CAS Numbers: 103646-25-9 , [103646-25-9]

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) 2.61 0.6 -7.69 0 3 0 39 221.281 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 67 - 69 KeyOrganics
MP 67-69° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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