[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮

• 常用名: [1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮
• 英文名: [1,2,4]Triazolo[4,3-a]pyridine-3(2H)-thione
• CAS号: 6952-68-7
• 分子量: 151.18900
• 密度: 1.49 g/cm3
• 沸点: 235.1ºC at 760 mmHg
• 分子式: C₆H₅N₃S
• 熔点: 209-210ºC
• 闪点: 96ºC

[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮名称

• 中文名: [1,2,4]三唑[4,3-A]吡啶-3-硫醇
• 英文名: [1,2,4]Triazolo[4,3-a]pyridine-3-thiol
• 中文别名: 1,2,4-三唑[4,3-a]吡啶-3-硫醇 | 1,2,4-三氮唑并[4,3-A]吡啶-3(2H)-硫酮

[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮物理化学性质

• 密度: 1.49 g/cm3
• 沸点: 235.1ºC at 760 mmHg
• 熔点: 209-210ºC
• 分子式: C₆H₅N₃S
• 分子量: 151.18900
• 闪点: 96ºC
• 精确质量: 151.02000
• PSA: 65.18000
• LogP: 1.39190
• InChIKey: ZQMDNIPQCWNIMG-UHFFFAOYSA-N
• SMILES: S=c1[nH]nc2ccccn12
• 折射率: 1.784
• 储存条件: 2-8°C，氮气下储存
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.6

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:2

  6.拓扑分子极性表面积59.7

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:264

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮MSDS

[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮MSDS英文版

[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮安全信息

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 海关编码: 2933990090

[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮海关

• 海关编码: 2933990090
• 中文概述: 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
• 申报要素: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
• Summary: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮靶点实验

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[1,2,4]三唑并[4,3-a]吡啶-3(2H)-硫酮英文别名

• 2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione