1-苯基-5-巯基四氮唑 | 86-93-1
中文名称:
1-苯基-5-巯基四氮唑
英文名称:
1-phenyl-1H-tetrazole-5-thiol
CAS No.:
86-93-1
分子式:
C7 H6 N4 S
分子量:
178.214338779449
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
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%
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参考资料
Reaxys RN
609354
Beilstein
26,409
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