1,3-dithia-5,8-diaza-2-manganacyclononane-4,9-dithione; 1,3-dithia-5,8-diaza-2-zincacyclononane-4,9-dithione

• ChemBase ID: 158381
• Molecular Formular: C8H12MnN4S8Zn
• Molecular Mass: 541.045729
• Monoisotopic Mass: 538.7499515
• SMILES: C1CNC(=S)S[Mn]SC(=S)N1.C1CNC(=S)S[Zn]SC(=S)N1
• Canonical SMILES: S=C1NCCNC(=S)S[Mn]S1.S=C1NCCNC(=S)S[Zn]S1
• InChI: InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4
• InChIKey: CHNQZRKUZPNOOH-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dithia-5,8-diaza-2-manganacyclononane-4,9-dithione; 1,3-dithia-5,8-diaza-2-zincacyclononane-4,9-dithione
• IUPAC Traditional name: 1,3-dithia-5,8-diaza-2-manganacyclononane-4,9-dithione; 1,3-dithia-5,8-diaza-2-zincacyclononane-4,9-dithione
• Synonyms: Zinc Manganese Ethylenebisdithiocarbamate; Agrox 16D; Carmazine; Diesen M; Dithane M-45; F 2966; Fore; Green-daisen M; Indofil M 45; Karamate N; Kascade; Liro manzeb; Mancomix; Mancosan; Mancozan; Mancozeb; Mancozi; Maneb-zinc; Mankogal; Manoseb; Manzate 200; Manzeb; Manzidan; Marzin; Milcozebe; Mycotrin; Nemispor; Novozir MN; Novozir MN 80; Othane M 45; Pencozeb; Penncozeb; Pennfluid; Sakozeb Blue; Sandozeb Pepite; Tanzeo M 45; Thane M 45; Tritogol MZ; Vondozeb; Ziman-Dithane; Zimanat; Zimaneb; Mancozeb; [N-[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS']manganese mixture with [N-[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS']zinc; Manganese Zinc ethylenebis(dithiocarbamate); Mancozeb; 亚乙基双(二硫代氨基甲酸)锰锌; 代森锰锌

Database IDs

• CAS Number: 8018-01-7
• MDL Number: MFCD00078616
• PubChem SID: 162252517
• PubChem CID: 13307026

CALCULATED PROPERTIES

• Acid pKa: 7.9607835
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): 1.3630071
• LogD (pH = 7.4): 1.2640427
• Log P: 1.3644
• Molar Refractivity: 57.4784 cm^3
• Polarizability: 25.630178 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 138 °C; 280.4 °F

Safety Information

• RTECS: ZB3200000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 1
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 63-43-50
• Safety Statements: 36/37-46-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H361d-H400
• GHS Precautionary statements: P273-P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Description: technical mixture

DETAILS

Sigma Aldrich - 45553

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - M162200

Mancozeb is a mixture of Maneb (M163500) and Zineb, a manganese and zinc (1:1) complex mixture with the ethylene bis(dithiocarbamate) anionic ligand. Mancozeb is a foliate fungicide used to protect crops in agriculture. Mancozeb has a broader and more eff

REFERENCES

• Tang, M. et al.: Turang Tong., 41, 1365 (2010)
• Navneet; M. et al.: J. Ind. Botan. Soc., 74, 19 (2010)
• Lecigne, P. et al.: Phytoma, 531, 13 (2010)