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

• ChemBase ID: 158355
• Molecular Formular: C4H6MnN2S4
• Molecular Mass: 265.301889
• Monoisotopic Mass: 264.8794273
• SMILES: C1CNC(=S)S[Mn]SC(=S)N1
• Canonical SMILES: S=C1NCCNC(=S)S[Mn]S1
• InChI: InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
• InChIKey: YKSNLCVSTHTHJA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dithia-5,8-diaza-2-manganacyclononane-4,9-dithione
• IUPAC Traditional name: 1,3-dithia-5,8-diaza-2-manganacyclononane-4,9-dithione
• Synonyms: Graneor; Manebgan; Manesan; Manex; Manganous Ethylenebis[dithiocarbamate]; Manzate D; NM Drill Box; Nereb; Nespor; Plantifog 160M; Polyram M; Rhodianebe; Saneb M 22; Trimangol 80; Tritogol M; ZZ-Maneb Col; Maneb; [N-[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-κS,κS']manganese; [Ethylenebis[dithiocarbamato]]manganese; Dithane M 22; Ethylenebis[dithiocarbamic Acid] Manganous Salt; F 10; Manganese ethylenebis(dithiocarbamate); Maneb; 亚乙基双(二硫代氨基甲酸)锰; 代森锰

Database IDs

• CAS Number: 12427-38-2
• EC Number: 235-654-8
• MDL Number: MFCD00046858
• Beilstein Number: 3747585
• PubChem SID: 24869078; 162252491; 24899168
• PubChem CID: 5075889

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: true

PROPERTIES

Safety Information

• RTECS: OP0700000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 63-20-36-43-50/53
• Safety Statements: 36/37-46-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H319-H332-H361d-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Mol. Weight: Mw 265.30 (as monomer)
• Linear Formula: [C4H6MnN2S4]n

DETAILS

Sigma Aldrich - 45554

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

Toronto Research Chemicals - M163500

Maneb is a complex of manganese with the ethylene bis(dithiocarbamate) anionic ligand. Maneb is a foliate fungicide used to protect crops in agriculture. Maneb is also useful in creating a toxin-based animal (usually primates) model of Parkinson's disease

REFERENCES

• Gent, D. et al.: Plant Disease, 87, 591 (2003)
• Valaskova, E. et al.: Agrochemia, 10, 178 (2003)
• Cicchetti F. et al.: Trends Pharmacol. Sci., 30, 475 (2003)