Product Name

  • Name

    S-((4-Bromophenyl)methyl) O-butyl-3-pyridinylcarbonimidothioate

  • EINECS
  • CAS No. 51308-79-3
  • Density 1.392g/cm3
  • Solubility
  • Melting Point
  • Formula C17H19 Br N2 O S
  • Boiling Point
  • Molecular Weight 379.321
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, SOx, and Br−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 51308-79-3 (S-((4-Bromophenyl)methyl) O-butyl-3-pyridinylcarbonimidothioate)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms S-((4-Bromophenyl)methyl) O-butyl-3-pyridinylcarbonimidothioate
  • PSA 70.78000
  • LogP 5.66560

S-((4-Bromophenyl)methyl) O-butyl 3-pyridinylcarbonimidothioate Chemical Properties

Molecule structure of S-((4-Bromophenyl)methyl) O-butyl 3-pyridinylcarbonimidothioate (CAS NO.51308-79-3):

IUPAC Name: S-[(4-Bromophenyl)methyl] N-(2-butylpyridin-3-yl)carbamothioate 
Molecular Weight: 379.31456 g/mol
Molecular Formula: C17H19BrN2OS 
Density: 1.392 g/cm3
Index of Refraction: 1.635
Molar Refractivity: 97.6 cm3
Molar Volume: 272.4 cm3
Polarizability: 38.69×10-24 cm3
Surface Tension: 52.8 dyne/cm
XLogP3-AA: 4.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Tautomer Count: 4
Exact Mass: 378.040147
MonoIsotopic Mass: 378.040147
Topological Polar Surface Area: 42
Heavy Atom Count: 22
Complexity: 335
Canonical SMILES: CCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)Br
InChI: InChI=1S/C17H19BrN2OS/c1-2-3-5-15-16(6-4-11-19-15)20-17(21)22-12-13-7-9-14(18)10-8-13/h4,6-11H,2-3,5,12H2,1H3,(H,20,21)
InChIKey of S-((4-Bromophenyl)methyl) O-butyl 3-pyridinylcarbonimidothioate (CAS NO.51308-79-3): UMEADEMSHXYHTC-UHFFFAOYSA-N

S-((4-Bromophenyl)methyl) O-butyl 3-pyridinylcarbonimidothioate 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 .

S-((4-Bromophenyl)methyl) O-butyl 3-pyridinylcarbonimidothioate Safety Profile

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

S-((4-Bromophenyl)methyl) O-butyl 3-pyridinylcarbonimidothioate Specification

 S-((4-Bromophenyl)methyl) O-butyl 3-pyridinylcarbonimidothioate (CAS NO.51308-79-3) is also named as Carbonimidothioic acid, 3-pyridinyl-, S-((4-bromophenyl)methyl) O-butyl ester .

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