Product Name

  • Name

    Heptyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate

  • EINECS
  • CAS No. 51308-74-8
  • Density 1.05g/cm3
  • Solubility
  • Melting Point
  • Formula C23H32 N2 S2
  • Boiling Point 530.2°Cat760mmHg
  • Molecular Weight 400.652
  • Flash Point 274.4°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 51308-74-8 (Heptyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms Heptyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate
  • PSA 75.85000
  • LogP 7.82950

Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate Chemical Properties

Product Name: Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS NO.51308-74-8)


Molecular Formula: C23H32N2S2
Molecular Weight: 400.64358g/mol
Mol File: 51308-74-8.mol
Boiling point: 530.2 °C at 760 mmHg
Flash Point: 274.4 °C
Density: 1.05 g/cm3
Surface Tension: 38.2 dyne/cm
Enthalpy of Vaporization: 77.51 kJ/mol
Vapour Pressure: 8.6E-11 mmHg at 25°C
XLogP3-AA: 8.1
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate (CAS NO.51308-74-8):
  IUPAC Name: 1-heptylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
  Canonical SMILES: CCCCCCCSC(=NC1=CN=CC=C1)SCC2=CC=C(C=C2)C(C)C
  InChI: InChI=1S/C23H32N2S2/c1-4-5-6-7-8-16-26-23(25-22-10-9-15-24-17-22)27-18-20-11-13-21(14-12-20)19(2)3/h9-15,17,19H,4-8,16,18H2,1-3H3 
  InChIKey: RHUROUFPNYQFHS-UHFFFAOYSA-N

Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #3899582,

Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate Safety Profile

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

Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate Specification

 Heptyl (4-(1-methylethyl)phenyl)methyl 3-pyridinylcarbonimidodithioate , its CAS NO. is 51308-74-8, the synonyms are Carbonimidodithioic acid, 3-pyridinyl-, heptyl (4-(1-methylethyl)phenyl)methyl ester ; CID180503 ; LS-52186 .

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