UCSF

ZINC01608352

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: Ethyl 2-bromothiazole-4-carboxylate Ethyl 2-bromothiazole-4-carboxylate

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CAS Numbers: 100367-77-9 , [100367-77-9] , [86134-26-1]

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) 2.25 -0.41 -6.44 0 3 0 39 236.09 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 153-155°/13mm Oakwood Chemical
MP 68-70° Matrix Scientific
Melting_Point 68-71? Alfa-Aesar
Melting_Point 68-71° Alfa-Aesar
MP 68-72° Oakwood Chemical
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Purity 99% Matrix Scientific
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Moisture Sensitive/Refrigerate Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.