N-Des(cyano-2-thienylmethyl)-N-(2-thienylcarbonyl) Ethaboxam - CAS 600707-14-0

Catalog:	BB068451
Product Name:	N-Des(cyano-2-thienylmethyl)-N-(2-thienylcarbonyl) Ethaboxam
CAS:	600707-14-0
Synonyms:	4-Ethyl-2-(ethylamino)-N-(2-thienylcarbonyl)-5-thiazolecarboxamide

Technical Data

IUPAC Name:	4-ethyl-2-(ethylamino)-N-(thiophene-2-carbonyl)-1,3-thiazole-5-carboxamide
Description:	N-Des(cyano-2-thienylmethyl)-N-(2-thienylcarbonyl) Ethaboxam is a metabolite of Ethaboxam (E675700); a pesticide used as a fungicide against fungal infections in crops.
Molecular Weight:	309.41
Molecular Formula:	C13H15N3O2S2
Canonical SMILES:	CCC1=C(SC(=N1)NCC)C(=O)NC(=O)C2=CC=CS2
InChI:	InChI=1S/C13H15N3O2S2/c1-3-8-10(20-13(15-8)14-4-2)12(18)16-11(17)9-6-5-7-19-9/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17,18)
InChI Key:	RGKNMUUMBMRJSY-UHFFFAOYSA-N
References:	Kim, D. et al. Pest Manage. Sci., 60, 1007 (2004); Park, M. et al. J. Microbiol. Biotech., 13, 43 (2003); Kim, J., et al. ACS Symp. Ser., 853, 65 (2003).

Complexity:	368
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.06056908
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	309.06056908
Rotatable Bond Count:	5
Topological Polar Surface Area:	128Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5