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2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑

更新时间:2025-08-27 11:33:59

2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑结构式
2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑结构式
品牌特惠专场
常用名 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑 英文名 2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CAS号 1014-25-1 分子量 207.25200
密度 1.32g/cm3 沸点 393.1ºC at 760mmHg
分子式 C9H9N3OS 熔点 ≥300 °C(lit.)
MSDS N/A 闪点 191.6ºC

 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑名称

中文名 2-氨基-5-(4-甲氧基苯基))-1,3,4-噻二唑
英文名 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
中文别名 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑
英文别名 更多

 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑物理化学性质

密度 1.32g/cm3
沸点 393.1ºC at 760mmHg
熔点 ≥300 °C(lit.)
分子式 C9H9N3OS
分子量 207.25200
闪点 191.6ºC
精确质量 207.04700
PSA 89.27000
LogP 2.37710
InChIKey UJBCFMCQLVRXBQ-UHFFFAOYSA-N
SMILES COc1ccc(-c2nnc(N)s2)cc1
蒸汽压 2.18E-06mmHg at 25°C
折射率 1.636
储存条件 2-8°C,避光,保存于惰性气体中
分子结构

1、摩尔折射率:56.32

2、摩尔体积(cm3/mol):156.9

3、等张比容(90.2K):434.5

4、表面张力(dyne/cm):58.8

5、介电常数:无可用的

6、极化率(10-24cm3):22.32

7、单一同位素质量:207.046632 Da

8、标称质量:207 Da

9、平均质量:207.2523 Da

计算化学

1.疏水参数计算参考值(XlogP):1.7

2.氢键供体数量:1

3.氢键受体数量:5

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积89.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:185

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

 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑MSDS

 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑安全信息

危害码 (欧洲) Xi: Irritant;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) S26-S36
WGK德国 3
海关编码 2934999090

 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑合成线路

 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑海关

海关编码 2934999090
中文概述 2934999090. 其他杂环化合物. 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
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑靶点实验

查看更多实验

实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑英文别名

2-amino-5-p-anisylthiadiazole
5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine
5-amino-2-(4'-methoxyphenyl)-1,3,4-thiadiazole
2-amino-5-(4-methoxyphenyl)-(1,3,4)-thiadiazole
5-(4-methoxyphenyl)-1,3,4-thiadiazole-2-ylamine
MFCD00813220
2-amino-5-(p-anisyl)-1,3,4-thiadiazole
2-amino-5-(p-methoxyphenyl)-1,3,4-thiadiazole
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