1-(dimethyl-2H-1,3-dithiol-2-ylidene)-1$l^{5}-piperidin-1-ylium; hexafluoro-$l^{5}-phosphanuide

• ChemBase编号: 96285
• 分子式: C10H16F6NPS2
• 平均质量: 359.3349202
• 单一同位素质量: 359.03659747
• SMILES: [N+]1(=c2sc(c(s2)C)C)CCCCC1.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.Cc1sc(=[N+]2CCCCC2)sc1C
• InChI: InChI=1S/C10H16NS2.F6P/c1-8-9(2)13-10(12-8)11-6-4-3-5-7-11;1-7(2,3,4,5)6/h3-7H2,1-2H3;/q+1;-1
• InChIKey: XMUADWPFWGDFBO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(dimethyl-2H-1,3-dithiol-2-ylidene)-1$l^{5}-piperidin-1-ylium; hexafluoro-$l^{5}-phosphanuide
• IUPAC传统名: 1-(dimethyl-1,3-dithiol-2-ylidene)-1$l^{5}-piperidin-1-ylium; hexafluoro-$l^{5}-phosphanuide
• 别名: 1-(4,5-Dimethyl-1,3-dithiol-2-ylidene)piperidinium hexafluorophosphate

登记号

• MDL号: MFCD01313172
• PubChem SID: 162082934
• PubChem CID: 2781256

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -0.9541132
• LogD (pH = 7.4): -0.9541132
• Log P: -0.9541132
• 摩尔折射率: 76.1772 cm^3
• 极化性: 24.67818 Å^3
• 极化表面积: 3.01 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true