Carbamimidothioic acid, N,N-diphenyl-, methyl ester

• 常用名: Carbamimidothioic acid, N,N-diphenyl-, methyl ester
• 英文名: Carbamimidothioic acid, N,N-diphenyl-, methyl ester
• CAS号: 5416-30-8
• 分子量: 242.33900
• 密度: 1.08g/cm3
• 沸点: 373.6ºC at 760 mmHg
• 分子式: C₁₄H₁₄N₂S
• 熔点: N/A
• 闪点: 179.7ºC

名称

• 英文名: methyl N,N'-diphenylcarbamimidothioate

物理化学性质

• 密度: 1.08g/cm3
• 沸点: 373.6ºC at 760 mmHg
• 分子式: C₁₄H₁₄N₂S
• 分子量: 242.33900
• 闪点: 179.7ºC
• 精确质量: 242.08800
• PSA: 49.69000
• LogP: 4.22220
• InChIKey: KZXMKHQCJVVAQG-UHFFFAOYSA-N
• SMILES: CSC(=Nc1ccccc1)Nc1ccccc1
• 折射率: 1.59
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.9

  2.氢键供体数量:1

  3.氢键受体数量:2

  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:49.7

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:241

  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

安全信息

• 海关编码: 2930909090

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%

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

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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英文别名

• 2-Methyl-1,3-diphenyl-thiopseudoharnstoff
• N,N'-diphenyl-S-methyl isothiourea
• S-Methyl-N,N'-diphenylpseudothioharnstoff
• N,N'-diphenyl S-(methyl)thiourea
• methyl N-phenylanilinomethanimidothioate
• S-methyl-N,N'-diphenyl-isothiourea
• S-Methyl-N,N'-diphenyl-isothioharnstoff
• N.N'-Diphenyl-isothioharnstoff-S-methylaether
• WLN: 1SYMR&UNR