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

• ChemBase编号: 158355
• 分子式: C4H6MnN2S4
• 平均质量: 265.301889
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 1,3-dithia-5,8-diaza-2-manganacyclononane-4,9-dithione
• IUPAC传统名: 1,3-dithia-5,8-diaza-2-manganacyclononane-4,9-dithione
• 别名: 亚乙基双(二硫代氨基甲酸)锰; 代森锰; 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

登记号

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

理论计算性质

• Acid pKa: 7.9607835
• 质子受体: 0
• 质子供体: 2
• LogD (pH = 5.5): 1.3630071
• LogD (pH = 7.4): 1.2640427
• Log P: 1.3644
• 摩尔折射率: 57.4784 cm^3
• 极化性: 25.630178 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

安全信息

• RTECS编号: OP0700000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 63-20-36-43-50/53
• 安全公开号: 36/37-46-60-61
• GHS危险品标识: GHS07; GHS08; GHS09
• GHS警示词: Warning
• GHS危险声明: H317-H319-H332-H361d-H410
• GHS警示性声明: P273-P280-P305 + P351 + P338-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 1000 mg
• Mol. Weight: Mw 265.30 (as monomer)
• 线性分子式: [C4H6MnN2S4]n

详细说明

Sigma Aldrich - 45554

法律信息
PESTANAL 注册商标 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

参考文献

• 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)