| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 24th, 2013 | 0 | No |
Popular Name: 3-Methyl-2-butyl isothiocyanate 3-Methyl-2-butyl isothiocyanate
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CAS Numbers: 201224-92-2 , 737001-02-4 , 745783-99-7 , [201224-92-2]
(R)-(-)-3-Methyl-2-ButylIsothiocyanate
(S)-(+)-3-Methyl-2-butyl isothiocyanate
(S)-(+)-3-Methyl-2-butyl isothiocyanate, 97%
None
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 164-167° | Fluorochem |
| Purity | 99% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.