4-Phenylthiosemicarbazide

4-Phenylthiosemicarbazide (4-PTSC) is a thiosemicarbazide used as an agricultural chemical and pesticide. It also possesses antibacterial properties attributed to electron delocalization in the thiosemicarbazide moiety.[2]

4-Phenylthiosemicarbazide[1]
Names
Preferred IUPAC name
N-Phenylhydrazinecarbothioamide
Other names
N-Phenyl-hydrazinecarbothioamide, USAF-EK-5426, USAF-EL-45
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.023.935 Edit this at Wikidata
UNII
  • InChI=1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11) checkY
    Key: KKIGUVBJOHCXSP-UHFFFAOYSA-N checkY
  • InChI=1/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11)
    Key: KKIGUVBJOHCXSP-UHFFFAOYAT
  • C1=CC=C(C=C1)NC(=S)NN
  • S=C(Nc1ccccc1)NN
Properties
C7H9N3S
Molar mass 167.23 g·mol−1
Appearance White to light yellow crystalline powder
Melting point 138 to 141 °C (280 to 286 °F; 411 to 414 K)
Boiling point 308 °C (586 °F; 581 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

References

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  1. ^ CID 730679 from PubChem
  2. ^ Nandi, Asok Kumar; Siddhartha Chaudhuri; Sunil Kumar Mazumdar; Saktiprosad Ghosh (1984). "Effect of chlorine substitution on the structure and activity of 4-phenylthiosemicarbazide: crystal and molecular structure of 4-(4-chlorophenyl)thiosemicarbazide". J. Chem. Soc., Perkin Trans. 2 (11): 1729–1733. doi:10.1039/P29840001729.
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