UCSF

ZINC11536297

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2008 11 Yes

Popular Name: N-methyl-1,3-benzothiazol-2-amine N-methyl-1,3-benzothiazol-2-amine

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CAS Numbers: 16954-69-1 , 54237-38-6 , [16954-69-1]

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) 2.35 -1.98 -7.75 1 2 0 25 164.233 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 139 - 141 Enamine Building Blocks
MP 139...141 Enamine Building Blocks
melting_point 140 - 142 KeyOrganics
MP 140-142° Matrix Scientific
MP 253 - 255 Enamine Building Blocks
MP 253...255 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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