UCSF

ZINC00158872

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 Yes

Popular Name: 2-Phenyl-1,3-thiazole-4-carboxylic acid 2-Phenyl-1,3-thiazole-4-carboxyl…

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CAS Numbers: 02/10/13 , 10/2/7113 12:00:00 AM , 23012-16-0 , 7113-10-2 , [7113-10-2]

Download: MOL2 SDF SMILES Flexibase

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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) 2.60 5.83 -55.83 0 3 -1 53 204.23 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 148-152? Alfa-Aesar
Melting_Point 148-152° Alfa-Aesar
MP 160 - 161 Enamine Building Blocks
MP 160...161 Enamine Building Blocks
Mp [°C] 171 - 172 Acros Organics
melting_point 175 - 177 KeyOrganics
MP 175-177° Matrix Scientific
MP 210° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity >95% Matrix Scientific
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minute Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XI: Irritant Acros Organics

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