| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 8 | Yes |
Popular Name: 1,2,3-thiadiazole-4-carboxylic acid 1,2,3-thiadiazole-4-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4100-13-4 , [4100-13-4]
1,2,3-Thiadiazole-4-carboxylic acid, 97%
1,2,3-thiadiazole-4-carboxylicacid
| 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) | 0.34 | 0.46 | -48.07 | 0 | 4 | -1 | 66 | 129.12 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 222 - 224 | Enamine Building Blocks |
| MP | 222...224 | Enamine Building Blocks |
| Mp [°C] | 224 - 226 | Acros Organics |
| Melting_Point | 227-228? | Alfa-Aesar |
| Melting_Point | 227-228° | Alfa-Aesar |
| MP | 228 - 230 | Enamine Building Blocks |
| melting_point | 230 - 232 | KeyOrganics |
| MP | 230-232° | 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/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.