Boc-ThionoLeu-1-(6-nitro)benzotriazolide

Base Information

• Chemical Name: Boc-ThionoLeu-1-(6-nitro)benzotriazolide
• CAS No.: 214750-70-6
• Molecular Formula: C₁₇H₂₃N₅O₄S
• Molecular Weight: 393.467
• DSSTox Substance ID: DTXSID60426520
• Mol file: 214750-70-6.mol

Synonyms:Boc-ThionoLeu-1-(6-nitro)benzotriazolide;214750-70-6;tert-butyl N-[(2S)-4-methyl-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidenepentan-2-yl]carbamate;DTXSID60426520;MFCD01318723;A18447;Boc-L-2-amino-4-methylpentanethioic acid-1-(6-nitro)benzotriazolide

Chemical Property of Boc-ThionoLeu-1-(6-nitro)benzotriazolide

Chemical Property:

• PSA: 146.95000
• Density: 1.34
• LogP: 4.36850
• Storage Temp.: -15°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 393.14707541
• Heavy Atom Count: 27
• Complexity: 575

Purity/Quality:

97% ^*data from raw suppliers

Boc-Thionoleu-1-(6-nitro)benzotriazolide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC(C(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC(C)C[C@@H](C(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1)NC(=O)OC(C)(C)C