UCSF

ZINC08579603

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 6 No

Popular Name: 2-Aminothiazole 2-Aminothiazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17721-00-5 , 61169-63-9 , 6142-05-8 , 96-50-4 , [96-50-4]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.48 0.61 -5.02 2 2 0 39 100.146 0 ↓
Lo Low (pH 4.5-6) 0.48 1.12 -27.14 3 2 1 40 101.154 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 117 (p=15 torr) Acros Organics
Boiling_Point 117?/15mm Alfa-Aesar
Boiling_Point 117°/15mm Alfa-Aesar
MP 12 - 16 Enamine Building Blocks
MP 12...16 Enamine Building Blocks
BP 143 / 12 TCI
Mp [°C] 86 - 91 Acros Organics
MP 88-90° Oakwood Chemical
Melting_Point 88-92? Alfa-Aesar
Melting_Point 88-92° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 TCI
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Target Antifection Selleck Chemicals
Therapy antithyroid agent SMDC Pharmakon
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed Acros Organics
Warnings IRRITANT Matrix Scientific
Target Others Selleck Chemicals
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R22: Harmful if swallowed.; R36/37: Irritating to eyes and respiratory system. 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.; S39: Wear eye/face protection. 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.