2-{[(Pyridin-3-yl)methyl]sulfanyl}ethan-1-amine

Base Information

• Chemical Name: 2-{[(Pyridin-3-yl)methyl]sulfanyl}ethan-1-amine
• CAS No.: 55272-88-3
• Molecular Formula: C₈H₁₂N₂S
• Molecular Weight: 168.263
• DSSTox Substance ID: DTXSID80542276
• Wikidata: Q82418883

Synonyms:55272-88-3;SCHEMBL9865840;DTXSID80542276;NAIGAQQUVFYXGR-UHFFFAOYSA-N;2-[(3-pyridinylmethyl)thio]ethanamine;AKOS000193169;2-[[(3-pyridyl)methyl]thio]ethanamine;2-{[(Pyridin-3-yl)methyl]sulfanyl}ethan-1-amine

Chemical Property of 2-{[(Pyridin-3-yl)methyl]sulfanyl}ethan-1-amine

Chemical Property:

• PSA: 64.21000
• LogP: 1.97380
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.07211956
• Heavy Atom Count: 11
• Complexity: 98.1

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)CSCCN

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