2-Benzyl-1,3-bis(tert-butoxycarbonyl)-2-thiopseudourea

Base Information

• Chemical Name: 2-Benzyl-1,3-bis(tert-butoxycarbonyl)-2-thiopseudourea
• CAS No.: 302912-11-4
• Molecular Formula: C₁₈H₂₆N₂O₄S
• Molecular Weight: 366.481
• DSSTox Substance ID: DTXSID30430679
• Mol file: 302912-11-4.mol

Synonyms:2-Benzyl-1,3-bis(tert-butoxycarbonyl)-2-thiopseudourea;302912-11-4;tert-butyl (NE)-N-[benzylsulfanyl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate;DTXSID30430679

Chemical Property of 2-Benzyl-1,3-bis(tert-butoxycarbonyl)-2-thiopseudourea

Chemical Property:

• Melting Point: 129-132 °C(lit.)
• PSA: 105.78000
• LogP: 4.94000
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 366.16132849
• Heavy Atom Count: 25
• Complexity: 486

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)SCC1=CC=CC=C1
• Isomeric SMILES: CC(C)(C)OC(=O)N/C(=N\C(=O)OC(C)(C)C)/SCC1=CC=CC=C1

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