UCSF

ZINC00080609

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: methyl 3-amino-5-phenylthiophene-2-carboxylate methyl 3-amino-5-phenylthiophene…

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CAS Numbers: 100063-22-7 , [100063-22-7]

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) 3.00 -0.2 -7.29 2 3 0 52 233.292 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 145-148? Alfa-Aesar
Melting_Point 145-148° Alfa-Aesar
Mp [°C] 147 - 149 Acros Organics
MP 150-151° Fluorochem
Purity 97% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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