Tert-butyl 2-carbamothioyl-5-phenylpyrrolidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 2-carbamothioyl-5-phenylpyrrolidine-1-carboxylate
• CAS No.: 885277-73-6
• Molecular Formula: C16H22 N2 O2 S
• Molecular Weight: 306.42
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10693083
• Mol file: 885277-73-6.mol

Synonyms:885277-73-6;tert-butyl 2-carbamothioyl-5-phenylpyrrolidine-1-carboxylate;2-PHENYL-5-THIOCARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-BOC-2-PHENYL-5-THIOCARBAMOYL-PYRROLIDINE;DTXSID10693083;AB21763;tert-butyl2-carbamothioyl-5-phenylpyrrolidine-1-carboxylate;2-phenyl-5-thiocarbamoylpyrrolidine-1-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 2-carbamothioyl-5-phenylpyrrolidine-1-carboxylate

Chemical Property:

• PSA: 87.65000
• LogP: 4.05150
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 306.14019912
• Heavy Atom Count: 21
• Complexity: 400

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl2-carbamothioyl-5-phenylpyrrolidine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C(CCC1C(=S)N)C2=CC=CC=C2