UCSF

ZINC00156196

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 No

Popular Name: 4-Acetamidothiophenol 4-Acetamidothiophenol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1126-81-4 , [1126-81-4]

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) 1.39 4.02 -51.05 1 2 -1 29 166.225 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 147-152? Alfa-Aesar
Melting_Point 147-152° Alfa-Aesar
Mp [°C] 149 - 154 Acros Organics
MP 150 - 153 Enamine Building Blocks
MP 150...153 Enamine Building Blocks
MP 154 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95%min APIChem
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
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/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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