CAS号:23564-06-9-- - Thiophanate-科华智慧

1. 主信息

英文名:	Thiophanate
中文名:	-
CAS编号:	23564-06-9
化学分子式：	C₁₄H₁₈N₄O₄S₂
化学分子量：	370.5 g/mol
SMILES：	CCOC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OCC
来源：	合成化合物
结构类型：	-
其它名称或标识：	Bis-Thioallophanate, Dimethylphenylene Cercobin M 70 Cercobin M-70 Cercobin M70 Dimethylphenylene Bis Thioallophanate

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	100mg	HPLC≥98%	1280	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methanol	104	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methanol	104	2-8℃	现货	-
科华智慧	1.2ml	1000μg/ml in methanol	312	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 42 42 0 0 0 0 0 0 0999 V2000 -1.8023 -3.6217 1.5995 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 3.6579 -1.5982 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 -3.1600 -0.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 3.1134 0.2966 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3833 -1.3265 -0.9564 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4248 1.3033 0.9567 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2341 -1.4109 0.0263 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 1.4258 -0.0259 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -3.0085 0.3796 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 3.0017 -0.3803 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4421 -0.6680 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 0.7159 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6393 -1.3648 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 1.4243 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8407 -0.6563 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8278 0.7382 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8821 -2.6166 0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 2.6346 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4683 -2.3900 -0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5298 2.3646 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 -2.6544 -1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7986 2.5870 1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -3.6212 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 3.5320 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7017 -2.4444 -0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6578 2.5059 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4402 -0.8802 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 0.8824 0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7867 -1.1900 0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7637 1.2894 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 -3.8877 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 3.8757 -0.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0099 -1.6750 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -2.5513 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 1.6024 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5473 2.4891 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7731 -3.2648 -1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1351 -3.7487 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 -4.6105 -1.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8502 3.1593 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 3.6543 -0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7195 4.5263 1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 22 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 28 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 31 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

4.2 InChl

InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)

4.3 InChlKey

YFNCATAIYKQPOO-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OCC

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