(3R,6R)-6-amino-3-phenyl-1,4-thiazepan-5-one

Base Information

• Chemical Name: (3R,6R)-6-amino-3-phenyl-1,4-thiazepan-5-one
• CAS No.: 110143-64-1
• Molecular Formula: C₁₁H₁₄N₂OS
• Molecular Weight: 222.311
• DSSTox Substance ID: DTXSID001174179

Synonyms:110143-64-1;DTXSID001174179;1,4-Thiazepin-5(2H)-one, 6-aminotetrahydro-3-phenyl-, (3R-cis)-

Chemical Property of (3R,6R)-6-amino-3-phenyl-1,4-thiazepan-5-one

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 222.08268425
• Heavy Atom Count: 15
• Complexity: 229

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1C(C(=O)NC(CS1)C2=CC=CC=C2)N
• Isomeric SMILES: C1[C@@H](C(=O)N[C@@H](CS1)C2=CC=CC=C2)N

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