CAS号:205650-69-7-2,6-Dichloro-4-trifluoromethylphenyl)-3-carboxamido-4-trifluoromethylsulfinyl-5-aminopyrazole

1. 主信息

英文名:	Fipronil amide
中文名:	2,6-Dichloro-4-trifluoromethylphenyl)-3-carboxamido-4-trifluoromethylsulfinyl-5-aminopyrazole
CAS编号:	205650-69-7
化学分子式：	C₁₂H₆Cl₂F₆N₄O₂S
化学分子量：	455.2 g/mol
SMILES：	C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	1ml	100ug/ml	3280	2-8°C	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 33 34 0 1 0 0 0 0 0999 V2000 -1.4396 1.4224 -2.5194 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 -0.9811 2.3561 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8399 -0.4968 -1.0649 S 0 0 1 0 0 0 0 0 0 0 0 0 -6.1645 0.1236 -0.8974 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8548 -1.6645 0.2904 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0286 0.2701 1.2679 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 -2.3905 0.7461 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4357 -0.5850 1.4959 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5604 -1.9787 0.2425 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 -1.5292 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1411 2.2862 0.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 0.3871 -0.1586 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 1.5147 0.3278 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -1.6597 -1.2377 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4062 3.5223 1.1007 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 -0.4762 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2683 0.1271 -0.5577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2451 0.2050 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 1.3494 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0715 0.6446 -1.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7993 -0.4170 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0059 -0.1599 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 0.4621 -1.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1798 -0.5993 1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9110 2.3776 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4816 -0.3547 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 -1.3997 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 0.8057 -1.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6192 -1.0835 1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3521 -2.2994 -1.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2913 -1.9749 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 3.6391 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 4.2748 1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 10 2 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 26 1 0 0 0 0 5 26 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 8 27 1 0 0 0 0 9 27 1 0 0 0 0 11 25 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 25 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 25 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carboxamide

4.2 InChl

InChI=1S/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)

4.3 InChlKey

OPPWTDFHAFPGOT-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型