4-甲基-2-(甲硫基)嘧啶-5-羧酸

• 常用名: 4-甲基-2-(甲硫基)嘧啶-5-羧酸
• 英文名: 4-methyl-2-(methylthio)pyrimidine-5-carboxylic acid
• CAS号: 98276-75-6
• 分子量: 184.21600
• 密度: 1.38g/cm3
• 沸点: 379.9ºC at 760mmHg
• 分子式: C₇H₈N₂O₂S
• 熔点: 169-171ºC
• 闪点: 183.5ºC

4-甲基-2-(甲硫基)嘧啶-5-羧酸名称

• 中文名: 2-甲基巯基-4-甲基嘧啶-5-甲酸
• 英文名: 4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid
• 中文别名: 4-甲基-2-甲硫基嘧啶-5-羧酸

4-甲基-2-(甲硫基)嘧啶-5-羧酸物理化学性质

• 密度: 1.38g/cm3
• 沸点: 379.9ºC at 760mmHg
• 熔点: 169-171ºC
• 分子式: C₇H₈N₂O₂S
• 分子量: 184.21600
• 闪点: 183.5ºC
• 精确质量: 184.03100
• PSA: 88.38000
• LogP: 1.20510
• InChIKey: AOPKZVQATOWLNA-UHFFFAOYSA-N
• SMILES: CSc1ncc(C(=O)O)c(C)n1
• 折射率: 1.606
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：45.88

  2、 摩尔体积（cm³/mol）：133.0

  3、 等张比容（90.2K）：385.8

  4、 表面张力（dyne/cm）：70.7

  5、 极化率（10-24cm3）：18.19

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1

  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:无

  6.拓扑分子极性表面积88.4

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:177

  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

• 更多:

  1. 熔点（ºC）：169~171

4-甲基-2-(甲硫基)嘧啶-5-羧酸安全信息

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 海关编码: 2933599090

4-甲基-2-(甲硫基)嘧啶-5-羧酸海关

• 海关编码: 2933599090
• 中文概述: 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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: 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-甲基-2-(甲硫基)嘧啶-5-羧酸靶点实验

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：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：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste... 来源：Broad Institute 靶标：N/A External Id：7124-01_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

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4-甲基-2-(甲硫基)嘧啶-5-羧酸英文别名

• 4-methyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid
• 4-methyl-(2-methylthio)pyrimidine-5-carboxylic acid
• 4-methyl-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid
• 4-Methyl-2-methylmercapto-pyrimidin-5-carbonsaeure