CAS号:64249-01-0-莎稗磷 - Anilofos-科华智慧

1. 主信息

英文名:	Anilofos
中文名:	莎稗磷
CAS编号:	64249-01-0
化学分子式：	C₁₃H₁₉ClNO₃PS₂
化学分子量：	367.9 g/mol
SMILES：	CC(C)N(C1=CC=C(C=C1)Cl)C(=O)CSP(=S)(OC)OC
来源：	合成化合物
结构类型：	-
其它名称或标识：	(S-4-chloro-N'-isopropylcarbaniloylmethyl-O-O-dimethylphosphorodithioate) anilofos

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	1000μg/ml in acetone	464	2-8℃	现货	-
科华智慧	1.2ml	1000μg/ml in methylbenzene	464	2-8℃	现货	-
科华智慧	1.2ml	100μg/ml in methylbenzene	152	2-8℃	现货	-
科华智慧	1.2ml	1000μg/ml in methanol(anhydrous)	464	2-8℃	现货	-
科华智慧	100mg	97%	704	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 40 40 0 0 0 0 0 0 0999 V2000 2.4607 -4.4413 -0.0722 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 1.6207 0.0059 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7142 0.3874 0.2641 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 -0.0029 0.0427 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 3.1142 0.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2608 -1.0625 1.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 -0.9075 -1.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6285 1.4051 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 2.2945 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 -0.0317 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 2.0645 1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 2.0915 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 1.9128 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 0.8634 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 -0.6512 -1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 -0.6820 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 -2.0319 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -2.0628 1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 -2.7378 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -0.7335 2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8175 -0.4091 -2.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 3.3314 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 2.1478 2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4297 2.8171 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 1.0843 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 2.8455 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 1.1121 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 2.1946 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 0.2175 -0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 0.2674 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 -0.1084 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 -0.1632 2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 -2.5449 -2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1965 -2.6000 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2993 -0.9470 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 -1.3519 3.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0578 0.3186 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 -0.5436 -2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5537 0.6475 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 -0.9771 -3.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 13 2 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

N-(4-chlorophenyl)-2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide

4.2 InChl

InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3

4.3 InChlKey

NXQDBZGWYSEGFL-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)N(C1=CC=C(C=C1)Cl)C(=O)CSP(=S)(OC)OC

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