1-Phenyl-2-aminobutylisothiouronium sulfate

Base Information

• Chemical Name: 1-Phenyl-2-aminobutylisothiouronium sulfate
• CAS No.: 63679-67-4
• Molecular Formula: C11H19N3O4S2
• DSSTox Substance ID: DTXSID80979907

Synonyms:63679-67-4;1-Phenyl-2-aminobutylisothiouronium sulfate;USAF B-116;Pseudourea, 2-thio-, 1-phenyl-2-aminobutyl-, sulfate;DTXSID80979907;Pseudourea, 2-aminobutyl-1-phenyl-2-thio-, hydrogen sulfate;Sulfuric acid--4-aminobutyl N-phenylcarbamimidothioate (1/1)

Chemical Property of 1-Phenyl-2-aminobutylisothiouronium sulfate

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 321.08169844
• Heavy Atom Count: 20
• Complexity: 270

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=C(N)SCCCCN.OS(=O)(=O)O

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