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

Base Information

• Chemical Name: Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl) phosphorothioate hydrate (4:4:5)
• CAS No.: 67293-75-8
• Molecular Formula: C11H22N2O3PS•Na•5/4H2O
• Molecular Weight: 338.89
• DSSTox Substance ID: DTXSID40217655
• Mol file: 67293-75-8.mol

Synonyms:Sodium hydrogen S-((N-cyclooctylmethylamidino)methyl) phosphorothioate hydrate (4:4:5);Methanethiol, N-(cyclooctylmethyl)amidino-, hydrogen phosphorothioate, sodium salt, hydrate (4:4:5);67293-75-8;DTXSID40217655;C11H22N2O3PS.Na.5/4H2O;LS-90398;C11-H22-N2-O3-P-S.Na.5/4H2-O;Phosphorothioic acid, S-[2-[(cyclooctylmethyl)amino]-2-iminoethyl] ester, monosodium salt, hydrate (4:5)

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

Chemical Property:

• Boiling Point: 503.7°Cat760mmHg
• Flash Point: 258.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 20
• Exact Mass: 1354.4474035
• Heavy Atom Count: 81
• Complexity: 309

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• 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+]