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 |
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: | 128Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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