| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 9 | Yes |
Popular Name: 2-methyl-1,3-thiazole-4-carboxylic acid 2-methyl-1,3-thiazole-4-carboxyl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1311043-74-9 , 35272-15-2 , 35272-15-5 , [25016-20-0] , [35272-15-2] , [35272-15-5]
"2-Methyl-1,3-thiazole-4-carboxylic acid, 97%"
2-methyl-1,3-thiazole-4-carboxylic acid - carbonic acid (1:1)
2-methyl-1,3-thiazole-4-carboxylic acid hydrochloride
2-Methyl-4-thiazolecarboxylic acid
2-Methyl-4-thiazolecarboxylicAcid
2-Methyl-thiazole-4-carboxylic acid
2-Methylthiazole-4-carboxylic acid
| 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) | 0.39 | 1.87 | -54.96 | 0 | 3 | -1 | 53 | 142.159 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 130 - 132 | Enamine Building Blocks |
| MP | 130...132 | Enamine Building Blocks |
| melting_point | 146 - 148 | KeyOrganics |
| MP | 146-148° | Matrix Scientific |
| Mp [°C] | 148 - 149 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye 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/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 |
No pre-computed analogs available. Try a structural similarity search.