Ethiprole Amide - CAS 623151-90-6

Catalog:	BB063248
Product Name:	Ethiprole Amide
CAS:	623151-90-6
Synonyms:	5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carboxamide

Technical Data

IUPAC Name:	5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carboxamide
Description:	Ethiprole Amide is an impurity of Ethiprole (E678320), which is a phenylpyrazole based insecticide used in rice ecosystem on Trichogramma japonicum, and egg parasitoid of rice lepidopterans. Ethiprole Amide can be prepared as a plant growth regulator.
Molecular Weight:	415.22
Molecular Formula:	C13H11Cl2F3N4O2S
Canonical SMILES:	CCS(=O)C1=C(N(N=C1C(=O)N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N
InChI:	InChI=1S/C13H11Cl2F3N4O2S/c1-2-25(24)10-8(12(20)23)21-22(11(10)19)9-6(14)3-5(4-7(9)15)13(16,17)18/h3-4H,2,19H2,1H3,(H2,20,23)
InChI Key:	QQVQUIRUQOHHEP-UHFFFAOYSA-N
Melting Point:	>175°C (dec.)
Solubility:	Acetone (Slightly), DMSO (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Inert atmosphere
References:	Zhao, X.P., et al. J. Economic. Entomol., 105, 92 (2012); Gomez-P. M.L., et al. J. Chromatograph. A., 1248, 130 (2012); Bastiaans, H.M.M., et.al., Eur. Pat. Appl., 71, (2005).

Complexity:	530
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	413.9931867
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	413.9931867
Rotatable Bond Count:	4
Topological Polar Surface Area:	123Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9