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42754-23-4

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Basic Information
CAS No.: 42754-23-4
Name: Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate
Molecular Structure:
Molecular Structure of 42754-23-4 (Cyclohexyl 4-(1,1-(dimethylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate)
Formula: C23H30N2OS2
Molecular Weight: 414.67
Density: 1.11g/cm3
Boiling Point: 537.5°Cat760mmHg
Flash Point: 278.9°C
Hazard Symbols: Moderately toxic by ingestion.
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
PSA: 75.85000
LogP: 7.36590
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  • CYCLOHEXYL 4-(1,1-(DIMETHYLETHYL) PHENYL)METHYL-3-PYRIDINYLCARBO NIMIDODITHIOATE

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    42754-23-4

    CYCLOHEXYL 4-(1,1-(DIMETHYLETHYL) PHENYL)METHYL-3-PYRIDINYLCARBO NIMIDODITHIOATE

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

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Chemistry

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

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 .

Safety Profile

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

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 .