| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 7th, 2010 | 14 | No |
Popular Name: Methyl 2-mercaptobenzo[d]oxazole-6-carboxylate Methyl 2-mercaptobenzo[d]oxazole…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 72752-81-9 , [72752-81-9]
2-Mercaptobenzooxazole-6-carboxylic acid methyl ester
2-mercaptobenzooxazole-6-carboxylicacidmethylester
6-Benzoxazolecarboxylic acid, 2,3-dihydro-2-thioxo-, methyl ester
methyl 2-sulfanyl-1,3-benzoxazole-6-carboxylate
| 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) | 1.67 | 3.56 | -13.71 | 1 | 4 | 0 | 55 | 209.226 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.39 | 2.59 | -41.32 | 0 | 4 | -1 | 52 | 208.218 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 236 - 238 | Enamine Building Blocks |
| MP | 236...238 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
