2-((3-Aminopropyl)amino)ethanethiol

Base Information

• Chemical Name: 2-((3-Aminopropyl)amino)ethanethiol
• CAS No.: 31098-42-7
• Molecular Formula: C5H14 N2 S
• Molecular Weight: 134.246
• Hs Code.: 2930909090
• NSC Number: 647527
• UNII: 05P3K9I49L
• DSSTox Substance ID: DTXSID90953197
• Nikkaji Number: J248.022K
• Wikidata: Q27104998
• Metabolomics Workbench ID: 52706
• ChEMBL ID: CHEMBL1201382
• Mol file: 31098-42-7.mol

Synonyms:2-((3-aminopropyl)amino)ethanethiol;2-((aminopropyl)amino)ethanediol;N-(2-mercaptoethyl)-1,3-diaminopropane;N-(2-mercaptoethyl)-1,3-diaminopropane dihydrochloride;WR 1065;WR-1065;WR1065

Chemical Property of 2-((3-Aminopropyl)amino)ethanethiol

Chemical Property:

• Vapor Pressure: 0.124mmHg at 25°C
• Boiling Point: 218.6°C at 760 mmHg
• PKA: 10.00±0.10(Predicted)
• Flash Point: 86°C
• PSA: 76.85000
• Density: 0.975±0.06 g/cm3(Predicted)
• LogP: 0.94580
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 134.08776963
• Heavy Atom Count: 8
• Complexity: 41.4

Purity/Quality:

98%Min ^*data from raw suppliers

Amifostine thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)CNCCS