Product Name

  • Name

    Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate

  • EINECS
  • CAS No. 42754-23-4
  • Density 1.11g/cm3
  • Solubility
  • Melting Point
  • Formula C23H30N2OS2
  • Boiling Point 537.5°Cat760mmHg
  • Molecular Weight 414.67
  • Flash Point 278.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 42754-23-4 (Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms
  • PSA 75.85000
  • LogP 7.36590

Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate Chemical Properties

Molecule structure of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS NO.42754-23-4):

IUPAC Name: 1-[(4-tert-Butylphenyl)methylsulfanyl]-1-cyclohexylsulfanyl-N-pyridin-3-ylmethanimine 
Molecular Weight: 398.6277 g/mol
Molecular Formula: C23H30N2S2 
Density: 1.11 g/cm3 
Boiling Point: 537.5 °C at 760 mmHg 
Flash Point: 278.9 °C
Index of Refraction: 1.6
Molar Refractivity: 122.6 cm3
Molar Volume: 358.3 cm3
Polarizability: 48.6×10-24 cm3
Surface Tension: 41.3 dyne/cm
Enthalpy of Vaporization: 78.39 kJ/mol
Vapour Pressure: 4.39E-11 mmHg at 25 °C
XLogP3: 7.6
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Exact Mass: 398.18504
MonoIsotopic Mass: 398.18504
Topological Polar Surface Area: 25.2
Heavy Atom Count: 27
Complexity: 458
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)CSC(=NC2=CN=CC=C2)SC3CCCCC3
InChI: InChI=1S/C23H30N2S2/c1-23(2,3)19-13-11-18(12-14-19)17-26-22(25-20-8-7-15-24-16-20)27-21-9-5-4-6-10-21/h7-8,11-16,21H,4-6,9-10,17H2,1-3H3
InChIKey: VMFNOGUKCOPHRG-UHFFFAOYSA-N
Classification Code of Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS NO.42754-23-4): Agricultural Chemical; Fungicide, bactericide, wood preservative

Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate Toxicity Data With Reference

1.    

orl-mus LD50:>1 g/kg

     USXXAM    United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #3899582 .

Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.

Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate Specification

 Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS NO.42754-23-4) is also named as Carbonimidodithioic acid, 3-pyridinyl-, cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl ester .

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