TL;DR: Cymoxanil-mancozeb mixt. (CAS 63665-81-6) is a chemical compound with molecular formula C40H32N2O3S3 and molecular weight 684.15753 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylbenzenesulfonate;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-phenylprop-2-enylidene]benzo[e][1,3]benzothiazole
Also Known As: Cymoxanil-mancozeb mixt., Naphtho(1,2-d)thiazolium, 1-methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1), Naphtho(1,2-d)thiazolium, 1-methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl)-, salt with 4-methylbenzenesulfonic acid (1:1), Naphtho[1,2-d]thiazolium, 1-methyl-2-[3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1), 1-Methyl-2-(3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-2-phenyl-1-propenyl)naphtho(1,2-d)thiazolium toluene-p-sulphonate
| Molecular Formula | C40H32N2O3S3 |
| Molecular Weight | 684.15753 g/mol |
| XLogP | 9.56 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 684.15753 Da |
| Heavy Atoms | 48 |
| Complexity | 1010.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=CC(=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)C)C5=CC=CC=C5)SC6=C1C7=CC=CC=C7C=C6 |
| InChIKey | FQEAOMQUSANKRE-UHFFFAOYSA-M |
The XLogP value of 9.56 indicates that Cymoxanil-mancozeb mixt. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cymoxanil-mancozeb mixt.. Following Lipinski's Rule of Five, Cymoxanil-mancozeb mixt. has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Cymoxanil-mancozeb mixt. is 63665-81-6.
The molecular formula of Cymoxanil-mancozeb mixt. is C40H32N2O3S3.
The molecular weight of Cymoxanil-mancozeb mixt. is 684.15753 g/mol.
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