Product Name

  • Name

    3-(5H-purin-6-ylsulfanyl)propanoic acid

  • EINECS
  • CAS No. 608-10-6
  • Article Data3
  • CAS DataBase
  • Density 1.69g/cm3
  • Solubility
  • Melting Point
  • Formula C8H8N4O2S
  • Boiling Point 442°C at 760 mmHg
  • Molecular Weight 224.26
  • Flash Point 221.1°C
  • Transport Information
  • Appearance
  • Safety A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 608-10-6 (3-(5H-purin-6-ylsulfanyl)propanoic acid)
  • Hazard Symbols A poison.
  • Synonyms
  • PSA
  • LogP

6-(2-Carboxyethylthio)purine Chemical Properties

IUPAC Name: 3-(7H-Purin-6-ylsulfanyl)propanoic acid 
Following is the structure of 6-(2-Carboxyethylthio)purine (CAS NO.608-10-6):
                   
Empirical Formula: C8H8N4O2S
Molecular Weight: 224.2397 g/mol
Surface Tension: 106.8 dyne/cm
Density: 1.59 g/cm3
Flash Point: 323.9 °C
Index of Refraction: 1.715
Enthalpy of Vaporization: 95.52 kJ/mol
Boiling Point: 611.9 °C at 760 mmHg
Vapour Pressure of 6-(2-Carboxyethylthio)purine (CAS NO.608-10-6): 7.91E-16 mmHg at 25 °C
Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)SCCC(=O)O
InChI: InChI=1S/C8H8N4O2S/c13-5(14)1-2-15-8-6-7(10-3-9-6)11-4-12-8/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12)
InChIKey: CSOKIZRBAMNJDO-UHFFFAOYSA-N

6-(2-Carboxyethylthio)purine Toxicity Data With Reference

1.    

ivn-mus LD50:180 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03053 .

6-(2-Carboxyethylthio)purine Safety Profile

A poison by intravenous route. When heated to decomposition, 6-(2-Carboxyethylthio)purine (CAS NO.608-10-6) emits toxic vapors of NOx and SOx.

6-(2-Carboxyethylthio)purine Specification

 6-(2-Carboxyethylthio)purine , its cas register number is 608-10-6. It also can be called 3-(7H-Purin-6-ylthio)propionic acid ; Propionic acid, 3-(purin-6-ylthio)- ; and Propanoic acid, 3-(1H-purin-6-ylthio)- (9CI) .

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