| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: methyl 3-isothiocyanato-4-methylthiophene-2-carboxylate methyl 3-isothiocyanato-4-methyl…
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CAS Number: 81321-15-5
Methyl 3-Isothiocyanato-4-methylthiophene-2-
| 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) | 3.34 | 1.21 | -9.48 | 0 | 3 | 0 | 38 | 213.283 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 75-77° | Fluorochem |
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.