N-(2-{[(ethylsulfanyl)methanethioyl]amino}ethyl)(methylsulfanyl)carbothioamide; N-(2-{[(methylsulfanyl)methanethioyl]amino}ethyl)(methylsulfanyl)carbothioamide; methane

• ChemBase编号: 174574
• 分子式: C14H30N4S8
• 平均质量: 510.9348
• 单一同位素质量: 510.02361498
• SMILES: S(C(=S)NCCNC(=S)SC)C.S(C(=S)NCCNC(=S)SCC)C.C
• Canonical SMILES: CSC(=S)NCCNC(=S)SC.CCSC(=S)NCCNC(=S)SC.C
• InChI: InChI=1S/C7H14N2S4.C6H12N2S4.CH4/c1-3-13-7(11)9-5-4-8-6(10)12-2;1-11-5(9)7-3-4-8-6(10)12-2;/h3-5H2,1-2H3,(H,8,10)(H,9,11);3-4H2,1-2H3,(H,7,9)(H,8,10);1H4
• InChIKey: NNEKVWZSRSUNFI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-{[(ethylsulfanyl)methanethioyl]amino}ethyl)(methylsulfanyl)carbothioamide; N-(2-{[(methylsulfanyl)methanethioyl]amino}ethyl)(methylsulfanyl)carbothioamide; methane
• IUPAC传统名: N-(2-{[(ethylsulfanyl)methanethioyl]amino}ethyl)methylsulfanylcarbothioamide; N-(2-{[(methylsulfanyl)methanethioyl]amino}ethyl)methylsulfanylcarbothioamide; methane
• 别名: Polyram; Amarex; Carbatene; Metiram-zinc; NIA 9102; Phytox-Super; Polycarbacin; Polycarbacine; Polycarbazin; Polycarbazine; Polykarbacin; Polymarcin; Polymarcine; Polymarsin; Polymarzin; Polymarzine; Polymat; Polyram 2000; Polyram 80; Polyram 80WP; Polyram DF; Metriram

登记号

• CAS号: 9006-42-2
• PubChem SID: 164230484
• PubChem CID: 71750713

理论计算性质

• Acid pKa: 7.224183
• 质子受体: 0
• 质子供体: 2
• LogD (pH = 5.5): 2.9886389
• LogD (pH = 7.4): 2.5839856
• Log P: 2.995861
• 摩尔折射率: 73.3744 cm^3
• 极化性: 28.961926 Å^3
• 极化表面积: 24.06 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - M338630

Metriram is a polymeric dithiocarbamic fungicide used in agriculture. Metiram is present as a mixture rather than a complex and is not assigned an ISO name. Metiram is used commonly in the protection of grapevines, apples, tomatoes, potatoes as well as ot

参考文献

• Golyshin, N.M> et al.: Khim. Sel. Khoz., 4, 897 (1965)
• Ross, R.G. et al.: Can. J. Plant Sci., 58, 601 (1965)
• Newsome, W.H. et al.: J. Agric. Food Chem., 24, 999 (1965)