| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 12 | Yes |
Popular Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 4,5,6,7-tetrahydro-1-benzothioph…
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CAS Numbers: 19156-54-8 , 5381-25-9 , [19156-54-8]
1-Benzothiophene-3-CarboxylicAcid
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylicacid
4,5,6,7-Tetrahydro-benzo[ b ]thiophene-3-carboxyli
4,5,6,7-Tetrahydro-benzo[ b ]thiophene-3-carboxylic acid
4,5,6,7-Tetrahydro-benzo[b]thiophene-3-carboxylic acid
4,5,6,7-Tetrahydro-ben[B]thiophene-3-carboxylic acid
4,5,6,7-Tetrahydrobenzo[b]thiophene-3-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) | 2.27 | -0.24 | -52.53 | 0 | 2 | -1 | 40 | 181.236 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 159 - 161 | Enamine Building Blocks |
| MP | 159...161 | Enamine Building Blocks |
| MP | 173 - 175 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.