| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | No |
Popular Name: 2-Isocyanato-4-methylsulfanyl-butyric acid methylester 2-Isocyanato-4-methylsulfanyl-bu…
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CAS Number: 93778-88-2
2-Isocyanato-4-methylsulfanyl-butyric acid methyl
2-Isocyanato-4-methylsulfanyl-butyric acid methyl ester
| 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) | 0.71 | 2.38 | -7.39 | 0 | 4 | 0 | 56 | 189.236 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 86°C (8 hPa) | Fluorochem |
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.