| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile 2-amino-4,5,6,7-tetrahydro-1-ben…
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CAS Numbers: 4651-91-6 , [4651-91-6]
"2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 97%"
2-Amino-3-cyano-4,5,6,7-tetrahydrobenzo(b)thiophene
2-Amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-
2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonitrile
2-Amino-4,5,6,7-Tetrahydrobenzo(B)Thiophene-3-
2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 97%
AMINOTETRAHYDROBENZOTHIOPHENECARBONITRIL
benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-
| 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) | 2.06 | -0.59 | -6.3 | 2 | 2 | 0 | 50 | 178.26 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 141 - 145 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 141-144? | Alfa-Aesar |
| Melting_Point | 141-144° | Alfa-Aesar |
| MP | 142 - 144 | Enamine Building Blocks |
| MP | 142...144 | Enamine Building Blocks |
| MP | 147-148° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.