N-(phenylcarbamothioyl)isoleucine
3-methyl-2-(phenylcarbamothioylamino)pentanoic acid
Also Known As: CBMicro_035185|N-(phenylcarbamothioyl)isoleucine|N-(anilinocarbonothioyl)isoleucine|BIM-0035046.P001|3-methyl-2-(phenylcarbamothioylamino)pentanoic acid|3-methyl-2-(3-phenylthioureido)pentanoic acid|SR-01000221526-1
CAS: 5839-71-4
| Molecular Formula | C13H18N2O2S |
|---|---|
| Molecular Weight | 266.1089 g/mol |
| LogP | 2.4723 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.1089 |
| Monoisotopic Mass | 266.1089 |
| Heavy Atoms | 18 |
| Complexity | 408.7121 |
Chemical Identifiers
| CAS Number | 5839-71-4 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)NC(=S)NC1=CC=CC=C1 |
Product Overview
N-(phenylcarbamothioyl)isoleucine (CAS 5839-71-4), with molecular formula C13H18N2O2S and molecular weight 266.1089 g/mol. IUPAC: 3-methyl-2-(phenylcarbamothioylamino)pentanoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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