Product Name

  • Name

    Ethanethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (est er)

  • EINECS
  • CAS No. 19143-00-1
  • Density 1.199g/cm3
  • Solubility
  • Melting Point
  • Formula C12H23 N O3 S2
  • Boiling Point °Cat760mmHg
  • Molecular Weight 293.452
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. Moderately toxic by ingestion. See also THIOSULFATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 19143-00-1 (Ethanethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (est er))
  • Hazard Symbols
  • Synonyms Thiosulfuricacid (H2S2O3), S-[2-[[4-(3-cyclohexen-1-yl)butyl]amino]ethyl] ester (9CI);Thiosulfuric acid, S-[2-[[4-(3-cyclohexen-1-yl)butyl]amino]ethyl] ester (8CI);Ethanethiol, 2-[[4-(3-cyclohexen-1-yl)butyl]amino]-, hydrogen sulfate (ester)
  • PSA 100.08000
  • LogP 4.11030

S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate Chemical Properties

Molecule structure of S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate (CAS NO.19143-00-1) :

IUPAC Name: 4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexene 
Molecular Weight: 293.44592 g/mol
Molecular Formula: C12H23NO3S2 
Density: 1.199 g/cm3
Index of Refraction: 1.546
Molar Refractivity: 77.47 cm3
Molar Volume: 244.6 cm3
Polarizability: 30.71×10-24 cm3
Surface Tension: 50.8 dyne/cm
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Exact Mass: 293.111935
MonoIsotopic Mass: 293.111935
Topological Polar Surface Area: 66.4
Heavy Atom Count: 18
Complexity: 336
Canonical SMILES: C1CC(CC=C1)CCCCNCCSS(=O)(=O)O
InChI: InChI=1S/C12H23NO3S2/c14-18(15,16)17-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h1-2,12-13H,3-11H2,(H,14,15,16)
InChIKey of S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate (CAS NO.19143-00-1) : DRVHDTQUWCFVON-UHFFFAOYSA-N

S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate Toxicity Data With Reference

1.    

orl-mus LD50:900 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 11 (1968),1190.
2.    

ipr-mus LD50:75 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 11 (1968),1190.

S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. See also THIOSULFATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.

S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate Specification

 S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate (CAS NO.19143-00-1) is also called 2-((4-Cyclohexen-3-ylbutyl)amino)ethanethiol hydrogen sulfate (ester) ; N 2985552 ; Etnethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (ester) .

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