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1-苯基-5-巯基四氮唑 | 86-93-1

1-苯基-5-巯基四氮唑
1-phenyl-1H-tetrazole-5-thiol
86-93-1
C7H6N4S
178.214338779449
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1-苯基-5-巯基四氮唑结构式
690730
名称和标识符
MDL MFCD00003129
InChIKey GGZHVNZHFYCSEV-UHFFFAOYSA-N
Inchi 1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)
SMILES S=C1N(C2C=CC=CC=2)N=NN1
BRN 139068
别名信息
- 中文别名 -
  • 1-苯基-5-巯基四氮唑
  • 四氮唑
  • 1-苯基-5-巯基-1H-四氮唑
  • 1-苯基-1H-四唑-5-硫醇
  • 单四氮唑
  • 5-巯基-1-苯基-1H-四唑
  • 5-疏基-1-苯基-四氮唑
  • "1-苯基-5-巯基四氮唑 照相级 ≥98.5
  • 1-苯基-1H-四氮唑-5-硫醇
  • 1-苯基-5-巯基四氮唑(PMT)
  • 1-苯基-5-巯基四氮唑中间体
  • 1-苯基-5-巯基四唑
  • 5-Mercapto-1-phenyl-1H-tetrazole 5-巯基-1-苯基-1H-四唑
  • 5-巯基-1-苯基-四氮唑
  • 5-疏基-1-苯基-四氮唑(南京1-苯基-5-巯基四氮唑、PMTA)
  • 苯基-硫醇-四唑
  • 1-苯基-5-硫醇基四氮唑
  • 1-苯基-5-巯基-1H-1,2,3,4-四氮唑
  • 1-苯基-5-巯基–1H-四氮唑
  • 1-苯基四氮唑-5-硫醇
- 英文别名 -
  • 1-Phenyl-1H-tetrazole-5-thiol
  • PMT
  • 1-Phenyl-5-mercaptotetrazole
  • 5-Mercapto-1-phenyltetrazole
  • Phenyltetrazolethiol
  • 5-Mercapto-1-phenyl-1H-tetrazole
  • 1-Phenyl-5-merkapto-1H-tetrazole
  • 1-Phenyl-5-mercapto-1H-tetrazole
  • 1-Phenyl-1H-1,2,3,4-tetrazole-5-thiol
  • 1-PHENYL-1H-1,2,3,4-TETRAAZOLE-5-THIOL
  • 1-Phenyl-5-mercapto-1,2,3,4-tetrazole
  • 1-Phenyl-5-thio-1H-tetrazole
  • 1-Phenyltetrazole-5-thiol
  • 1-Phenyl-5-mercapto
  • 1-phenyl-5-sulfanyltetrazole
  • 1-Phenyltetrazol-5-thiol
  • 1-Phenyltetrazole-5
  • 1-Phenyltetrazolethiol
  • 5-mercapto-1-phenyl-1,2,3,4-tetrazole
  • Mercaptophenyltetrazole
  • Phenylmercaptotetrazole
  • 1-Phenyltetrazoline-5-thione
  • 1-Phenyl-5-tetrazolethione
  • 5-Mercapto-1-phenyltetrazol
  • 1-Phenyltetrazole-thiol
  • 1-phenyl-2H-tetrazole-5-thione
  • 1H-Tetrazole-5-thiol, 1-phenyl-
  • 2-Tetrazoline-5-thione, 1-phenyl-
  • 5H-Tetrazole-5-thione, 1,2-dihydro-1-phenyl-
  • 5-Mercapto-1-phenyl-1,2,3,4-tetrazole
  • 1,2,3,4-Tetrazole-5-thiol, 1-phenyl- (4CI)
  • 1,2-Dihydro-1-phenyl-5H-tetrazole-5-thione (ACI)
  • 1H-Tetrazole-5-thiol, 1-phenyl- (8CI)
  • 2-Tetrazoline-5-thione, 1-phenyl- (6CI, 7CI)
  • (1-Phenyltetrazol-5-yl)mercaptan
  • 1-Phenyl-1,2,3,4-tetrazole-5-thiol
  • 1-Phenyl-1,2-tetrazoline-5-thione
  • 1-Phenyl-1H-1,2,3,4-tetraazole-5-thiol
  • 1-Phenyl-1H-tetraazole-5-thiol
  • 1-Phenyl-1H-tetrazol-5-thiol
  • 1-Phenyl-1H-tetrazole-5-thione
  • 1-Phenyl-2-tetrazoline-5-thione
  • 1-Phenyl-2H-tetrazole-5-thione
  • 1-Phenyl-4,5-dihydrotetrazole-5-thione
  • 1-Phenyl-5-thio-1,2,3,4-tetrazole
  • 1-Phenyl-5-thioxo-4,5-dihydrotetrazole
  • 5-Sulfanyl-1-phenyl-1H-tetrazole
  • NSC 24018
  • NSC 44916
  • NSC 67819
物化性质
实验特性
LogP 0.95100
PSA 82.40000
折射率 1.5500 (estimate)
水溶性 Soluble in 5% ethanol, water (partly), acetone, chloroform, and methanol.
沸点 342°C (rough estimate)
熔点 145 ºC
闪点 138°C
溶解度 ethanol: soluble5%, clear, colorless to faintly yellow
颜色与性状 白色结晶
PH值 3-5 (H2O, 20℃)suspension
溶解性 溶于乙醇、氯仿、四氯化碳
敏感性 Air Sensitive
密度 1.3046 (rough estimate)
计算特性
精确分子量 178.03100
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 1
同位素质量 178.031317
重原子数量 12
复杂度 210
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.8
互变异构体数量 3
表面电荷 0
拓扑分子极性表面积 72.1
国际标准相关数据
EINECS 24018
海关数据
海关编码 29339990
海关数据

中国海关编码:

2933990090

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%

相关文献
专业数据库参考
PubChemId 690730
参考资料
Reaxys RN 609354
Beilstein 26,409
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