| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 27th, 2008 | 7 | No |
Popular Name: 5-Amino-1,3,4-thiadiazole-2-thiol 5-Amino-1,3,4-thiadiazole-2-thiol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2349-67-9 , [2349-67-9]
"2-Amino-5-mercapto-1,3,4-thiadiazole, 98%"
2-amino-5-mercapto-1,3,4-thiadiazole
2-Amino-5-mercapto-1,3,4-thiadiazole, 98+%
2-Amino-5-thio-1,3,4-thiadiazole
5-Amino-1,3,4-thiadiazole-2-thiol, 98%
| 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) | 0.65 | 0.39 | -39.66 | 2 | 3 | -1 | 52 | 132.193 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 231 - 236 | Acros Organics |
| MP | 234 - 236 | Enamine Building Blocks |
| MP | 234...236 | Enamine Building Blocks |
| MP | 235°(dec) | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Melting_Point | ca 243? dec. | Alfa-Aesar |
| Melting_Point | ca 243° dec. | Alfa-Aesar |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1-10-E | Carbonic Anhydrase I (cluster #10 Of 12), Eukaryotic | Eukaryotes | 7100 | 1.03 | Binding ≤ 10μM |
| CAH2-11-E | Carbonic Anhydrase II (cluster #11 Of 15), Eukaryotic | Eukaryotes | 9200 | 1.01 | Binding ≤ 10μM |
| CAH9-10-E | Carbonic Anhydrase IX (cluster #10 Of 11), Eukaryotic | Eukaryotes | 9300 | 1.01 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH1_HUMAN | P00915 | Carbonic Anhydrase I, Human | 7100 | 1.03 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 9200 | 1.01 | Binding ≤ 10μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 9300 | 1.01 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Regulation of gene expression by Hypoxia-inducible Factor | |
| Reversible hydration of carbon dioxide |
No pre-computed analogs available. Try a structural similarity search.