2-羧甲基硫代苯甲酸

• 常用名: 2-羧甲基硫代苯甲酸
• 英文名: 2-(carboxymethylthio)benzoic acid
• CAS号: 135-13-7
• 分子量: 212.22200
• 密度: 1.49 g/cm3
• 沸点: 423ºC at 760 mmHg
• 分子式: C₉H₈O₄S
• 熔点: 208 °C
• 闪点: 209.6ºC

2-羧甲基硫代苯甲酸名称

• 中文名: 2-羧甲基硫代苯甲酸
• 英文名: 2-(carboxymethylsulfanyl)benzoic acid
• 中文别名: 2-(羧基甲基硫代)苯甲酸

2-羧甲基硫代苯甲酸物理化学性质

• 密度: 1.49 g/cm3
• 沸点: 423ºC at 760 mmHg
• 熔点: 208 °C
• 分子式: C₉H₈O₄S
• 分子量: 212.22200
• 闪点: 209.6ºC
• 精确质量: 212.01400
• PSA: 99.90000
• LogP: 1.56150
• InChIKey: GMBZSYUPMWCDGK-UHFFFAOYSA-N
• SMILES: O=C(O)CSc1ccccc1C(=O)O
• 蒸汽压: 6.55E-08mmHg at 25°C
• 分子结构:

  分子性质数据：

  1、 摩尔折射率：51.95

  2、 摩尔体积（m³/mol）：142.4

  3、 等张比容（90.2K）：418.7

  4、 表面张力（3.0 dyne/cm）：74.7

  5、 极化率（0.5 10 ^-24cm ³）：20.59

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.6

  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:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积99.9

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:229

  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-羧甲基硫代苯甲酸毒性和生态

2-羧甲基硫代苯甲酸毒理学数据:

急性毒性数据

小鼠腹腔LD50：250mg/kg

小鼠静脉LD50：180mg/kg

2-羧甲基硫代苯甲酸安全信息

• 危害码 (欧洲): T
• 安全声明 (欧洲): S22-S24/25
• RTECS号: DG4975500
• 海关编码: 2930909090

2-羧甲基硫代苯甲酸海关

• 海关编码: 2930909090
• 中文概述: 2930909090. 其他有机硫化合物. 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:30.0%
• 申报要素: 品名, 成分含量, 用途
• Summary: 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2-羧甲基硫代苯甲酸靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

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：HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Base... 来源：Broad Institute 靶标：Hsf1 protein External Id：2038-03_Inhibitor_Dose_CherryPick_Activity_Set4

实验名称：Dicer-mediated maturation of pre-microRNA 来源：Center for Chemical Genomics, University of Michigan 靶标：N/A External Id：TargetID_659_CEMA

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2-羧甲基硫代苯甲酸英文别名

• EINECS 205-178-5
• 2-Carboxymethylmercapto-benzoesaeure
• Acetic acid,(2-carboxyphenyl)thio
• 2-Carboxyphenylthioglycolic acid
• 2-<(carboxymethyl)thio>benzoic acid
• o-Carboxyphenylthioglycollic acid
• (o-Carboxyphenylthio)acetic acid
• 2-(Carboxymethylthio)benzoic acid
• 2-(3-FLUOROPHENYL)ACETOPHENONE
• 2-(carbomethylthio)benzoic acid
• MFCD00021761
• 2-carboxymethylsulfanyl-benzoic acid
• (S-Phenyl-thioglykolsaeure)-o-carbonsaeure