2-氨基苯并噻唑-6-甲酸结构式
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常用名 | 2-氨基苯并噻唑-6-甲酸 | 英文名 | 2-aMinobenzothiazole-6-carboxylic acid |
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| CAS号 | 93-85-6 | 分子量 | 194.210 | |
| 密度 | 1.6±0.1 g/cm3 | 沸点 | 466.6±37.0 °C at 760 mmHg | |
| 分子式 | C8H6N2O2S | 熔点 | 99-101 °C(lit.) | |
| MSDS | N/A | 闪点 | 236.0±26.5 °C |
| 中文名 | 2-氨基苯并噻唑-6-甲酸 |
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| 英文名 | 2-Aminobenzothiazole-6-Carboxylic Acid |
| 中文别名 | 2-氨基苯丙噻唑-6-羧酸 | 2-氨基-6-苯并噻唑羧酸 |
| 英文别名 | 更多 |
| 密度 | 1.6±0.1 g/cm3 |
|---|---|
| 沸点 | 466.6±37.0 °C at 760 mmHg |
| 熔点 | 99-101 °C(lit.) |
| 分子式 | C8H6N2O2S |
| 分子量 | 194.210 |
| 闪点 | 236.0±26.5 °C |
| 精确质量 | 194.014999 |
| PSA | 104.45000 |
| LogP | 1.57 |
| InChIKey | ZEAKWWWXCZMODH-UHFFFAOYSA-N |
| SMILES | Nc1nc2ccc(C(=O)O)cc2s1 |
| 蒸汽压 | 0.0±1.2 mmHg at 25°C |
| 折射率 | 1.800 |
| 储存条件 | 室温,密封,干燥 |
| 分子结构 | 1、 摩尔折射率:51.73 2、 摩尔体积(cm3/mol):121.0 3、 等张比容(90.2K):376.3 4、 表面张力(dyne/cm):93.4 5、 极化率(10-24cm3):20.51 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:2 3.氢键受体数量:5 4.可旋转化学键数量:1 5.互变异构体数量:4 6.拓扑分子极性表面积104 7.重原子数量:13 8.表面电荷:0 9.复杂度:224 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 |
| 危害码 (欧洲) | Xi: Irritant; |
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| 海关编码 | 2934999090 |
| 2-氨基苯并噻唑-6-甲酸上游产品 10 | |
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| 2-氨基苯并噻唑-6-甲酸下游产品 5 | |
| 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% |
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实验名称:A screen for compounds that inhibit cell wall-associated teichoic acid synthesis in S...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS704
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实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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实验名称:Screen for inhibitors of RMI FANCM (MM2) intereaction
来源:11908
靶标:N/A
External Id:RMI-FANCM-MM2
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实验名称:Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:ORF 73 [Human herpesvirus 8 type M]
External Id:HMS791
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实验名称:High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS1303
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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
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH PRUN
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实验名称:Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu...
来源:15621
靶标:G protein-activated inward rectifier potassium channel 2
External Id:VANDERBILT_HTS_GIRK2_MPD
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| EINECS 202-283-8 |
| MFCD00054180 |
| 2-Amino-1,3-benzothiazole-6-carboxylic acid |
| 2-Aminobenzo[d]thiazole-6-carboxylic acid |
| 2-aminobenzo[d]thiazole-6-carboxylicacid |