4-Amino-1,2-dithiolane-4-carboxylic acid

Base Information

• Chemical Name: 4-Amino-1,2-dithiolane-4-carboxylic acid
• CAS No.: 32418-97-6
• Molecular Formula: C4H7NO2S2
• Molecular Weight: 165.00
• NSC Number: 109825,212561
• UNII: WZ5Y5W5BGV
• DSSTox Substance ID: DTXSID70186163
• Nikkaji Number: J1.920.224K
• Wikidata: Q83057393
• ChEMBL ID: CHEMBL1724676
• Mol file: 32418-97-6.mol

Synonyms:4-amino-1,2-dithiolane-4-carboxylic acid;4-aminoasparagusic acid;Adt amino acid

Chemical Property of 4-Amino-1,2-dithiolane-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 4.71E-06mmHg at 25°C
• Refractive Index: 1.673
• Boiling Point: 356.8 °C at 760 mmHg
• Flash Point: 169.6 °C
• PSA: 113.92000
• Density: 1.559 g/cm³
• LogP: 0.86380
• XLogP3: -3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 164.99182081
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CSS1)(C(=O)O)N