3-(Amidinothio)-1-propanesulfonic acid

• CAS: 21668-81-5
• Catalog Number: ACM21668815-1
• Category: Other Products
• Molecular Weight: 198.3
• Molecular Formula: C4H10N2O3S2
• Synonyms: 3-S-Isothiuronium propyl sulfonate
• IUPAC Name: 3-Carbamimidoylsulfanylpropane-1-sulfonic acid
• Canonical SMILES: C(CSC(=N)N)CS(=O)(=O)O
• InChI: InChI=1S/C4H10N2O3S2/c5-4(6)10-2-1-3-11(7,8)9/h1-3H2,(H3,5,6)(H,7,8,9)
• InChI Key: MQLJIOAPXLAGAP-UHFFFAOYSA-N
• Melting Point: 240 °C
• Solubility: Soluble in water
• Appearance: Powder
• Storage: Keep in dark place, inert atmosphere, room temperature
• Exact Mass: 198.01328453
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 3
• Monoisotopic Mass: 198.01328453
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 138 Ų

Synthetic Use

Upstream Synthesis Route 1

• 1120-71-4
• 17356-08-0

• 21668-81-5

Reference: [1]Patent: US2833781,1954,

Downstream Synthesis Route 1

• 21668-81-5

• 17636-11-2

Reference: [1]Journal of the American Chemical Society,1955,vol. 77,p. 6231

Downstream Synthesis Route 2

• 21668-81-5
• 106-95-6

• 109256-23-7

Reference: [1]Ukrainskij Khimicheskij Zhurnal,1956,vol. 22,p. 791,792,793
Chem.Abstr.,1957,p. 14538

* For details of the synthesis route, please refer to the original source to ensure accuracy.