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
CAS Number	5351-69-9 N
3D model (JSmol)	Interactive image Interactive image
ChemSpider	638258 Y
ECHA InfoCard	100.023.935
PubChem CID	730679
UNII	RBH3R5JE2H Y
CompTox Dashboard (EPA)	DTXSID6063808
InChI InChI=1S/C7H9N3S/c8-10-7(11)9-6-4-2-1-3-5-6/h1-5H,8H2,(H2,9,10,11) Y Key: KKIGUVBJOHCXSP-UHFFFAOYSA-N Y 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
SMILES C1=CC=C(C=C1)NC(=S)NN S=C(Nc1ccccc1)NN
Properties
Chemical formula	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 YN ?) Infobox references

References

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.

External links

• EPA - Pesticides Fact Sheets