Product Name

  • Name

    SODIUM HYDROGEN S-((N-CYCLOOCTYL-METHYLAMIDINO)METHYL) PHOSPHORO-THIOATE HYDRATE (4:4:5)

  • EINECS
  • CAS No. 67293-75-8
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C11H22N2O3PS•Na•5/4H2O
  • Boiling Point 503.7°Cat760mmHg
  • Molecular Weight 338.89
  • Flash Point 258.5°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, POx, SOx, and Na2O.
  • Risk Codes
  • Molecular Structure Molecular Structure of 67293-75-8 (SODIUM HYDROGEN S-((N-CYCLOOCTYL-METHYLAMIDINO)METHYL) PHOSPHORO-THIOATE HYDRATE (4:4:5) )
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl)phosphorothioate hydrate (4:4:5) Chemical Properties

Molecule structure of Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl)phosphorothioate hydrate (4:4:5) (CAS NO.67293-75-8) :

IUPAC Name: tetrasodium[2-amino-2-(cyclooctylmethylimino)ethyl]sulfanyl-hydroxyphosphinate pentahydrate 
Molecular Weight: 1355.406444 g/mol
Molecular Formula: C44H98N8Na4O17P4S4 
Boiling Point: 503.7 °C at 760 mmHg
Flash Point: 258.5 °C
Enthalpy of Vaporization: 84.62 kJ/mol
Vapour Pressure: 1.63E-11 mmHg at 25 °C
H-Bond Donor: 13
H-Bond Acceptor: 25
Rotatable Bond Count: 20
Tautomer Count: 5
Exact Mass: 1354.447401
MonoIsotopic Mass: 1354.447401
Topological Polar Surface Area: 400
Heavy Atom Count: 81
Complexity: 309
Canonical SMILES: C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.
C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.C1CCCC(CCC1)CN=C(CSP(=O)(O)[O-])N.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/4C11H23N2O3PS.4Na.5H2O/c4*12-11(9-18-17(14,15)16)13-8-10-6-4-2-1-3-5-7-10;;;;;;;;;/h4*10H,1-9H2,(H2,12,13)(H2,14,15,16);;;;;5*1H2/q;;;;4*+1;;;;;/p-4
InChIKey of Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl)phosphorothioate hydrate (4:4:5) (CAS NO.67293-75-8) : YEAGUHBDKVFBDK-UHFFFAOYSA-J

Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl)phosphorothioate hydrate (4:4:5) Toxicity Data With Reference

1.    

orl-mus LD50:80 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 15 (1972),1313.
2.    

ipr-mus LD50:38 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 15 (1972),1313.

Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl)phosphorothioate hydrate (4:4:5) Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, POx, SOx, and Na2O.

Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl)phosphorothioate hydrate (4:4:5) Specification

  Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl)phosphorothioate hydrate (4:4:5) (CAS NO.67293-75-8) is also called Methanethiol, N-(cyclooctylmethyl)amidino-, hydrogen phosphorothioate, sodium salt, hydrate (4:4:5) .

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