Product Name

  • Name

    Thiosulfuric acid hydrogen S-[2-[3-(benzyloxy)propylamino]-2-iminoethyl] ester

  • EINECS
  • CAS No. 40283-92-9
  • Density 1.34g/cm3
  • Solubility
  • Melting Point
  • Formula C12H18N2O4S2
  • Boiling Point °Cat760mmHg
  • Molecular Weight 318.44
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 40283-92-9 (Thiosulfuric acid hydrogen S-[2-[3-(benzyloxy)propylamino]-2-iminoethyl] ester)
  • Hazard Symbols
  • Synonyms
  • PSA 133.16000
  • LogP 3.26760

S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate Chemical Properties

Molecule structure of S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate (CAS NO.40283-92-9):

IUPAC Name: 3-[(1-Amino-2-sulfosulfanylethylidene)amino]propoxymethylbenzene 
Molecular Weight: 318.41232 g/mol
Molecular Formula: C12H18N2O4S2 
Density: 1.34 g/cm3
Index of Refraction: 1.589
Molar Refractivity: 80.07 cm3
Molar Volume: 237.4 cm3
Polarizability: 31.74×10-24 cm3
Surface Tension: 54.5 dyne/cm
XLogP3-AA: 0.3
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 9
Tautomer Count: 2
Exact Mass: 318.070798
MonoIsotopic Mass: 318.070798
Topological Polar Surface Area: 102
Heavy Atom Count: 20
Complexity: 387
Canonical SMILES: C1=CC=C(C=C1)COCCCN=C(CSS(=O)(=O)O)N
InChI: InChI=1S/C12H18N2O4S2/c13-12(10-19-20(15,16)17)14-7-4-8-18-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,13,14)(H,15,16,17)
InChIKey: JCDVXGPHXXODML-UHFFFAOYSA-N

S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate Toxicity Data With Reference

1.    

orl-mus LD50:300 mg/kg

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

ipr-mus LD50:30 mg/kg

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

S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate Safety Profile

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

S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate Specification

 S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate (CAS NO.40283-92-9) is also named as NSC 187541 ; Methanethiol, N-(3-benzyloxypropyl)amidino-, hydrogen sulfate (ester) ; Thiosulfuric acid (H2S2O3), S-(2-imino-2-((3-
(phenylmethoxy)propyl)amino)ethyl) ester (9CI) . S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate (CAS NO.40283-92-9) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and sulfur oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep S-((N-(3-Benzyloxypropyl)amidino)methyl) hydrogen thiosulfate (CAS NO.40283-92-9) separate from raw materials of food.

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