| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2004 | 8 | Yes |
Popular Name: Thiazole-2-carboxylic acid Thiazole-2-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14190-59-1 , 497097-92-4 , 6300-04-5 , 65126-70-7 , [14190-59-1] , [497097-92-4]
"Thiazole-2-carboxylic acid, 98%"
1,3-thiazole-2-carboxylic acid
1,3-Thiazole-2-carboxylic acid sodium salt
1,3-thiazole-2-carboxylicacidsodiumsalt
2-thiazolecarboxylic acid, sodium salt
sodium 1,3-thiazole-2-carboxylate
Thiazole-2-carboxylic acid, 95%
| 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) | 0.17 | 1.27 | -49.36 | 0 | 3 | -1 | 53 | 128.132 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 105° (dec.) | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 91-93° | Matrix Scientific |
| Mp [°C] | 91.5 - 93 | Acros Organics |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0402246A1; EP0402246B1; WO1993009101A1 | IBM Patent Data |
| 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; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Refrigerate | 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.