CAS号:1006037-09-7-Thiophene, 2,5-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]- - 2,5-Dimethyl-3-(4-(trifluoromethyl)benzyl)thiophene-科华智慧

1. 主信息

英文名:	2,5-Dimethyl-3-(4-(trifluoromethyl)benzyl)thiophene
中文名:	Thiophene, 2,5-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-
CAS编号:	1006037-09-7
化学分子式：	C₁₄H₁₃F₃S
化学分子量：	270.31 g/mol
SMILES：	CC1=CC(=C(S1)C)CC2=CC=C(C=C2)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	1g	98%	2320	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 31 32 0 0 0 0 0 0 0999 V2000 4.2049 0.2666 1.2838 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3435 -1.6637 0.2958 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1432 -0.1027 1.7961 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9679 0.3701 -0.1532 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3208 0.7717 -1.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4281 0.3176 -0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0517 0.4810 -0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9752 1.0943 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0261 -0.9742 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -1.1355 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 -0.8100 -1.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 1.4993 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6181 -0.0641 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 2.4824 0.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8544 -1.0825 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 1.2268 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8533 -2.3209 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9889 -0.3562 0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 0.2834 -2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4309 1.8425 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 -1.7468 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 -1.6126 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4243 2.5099 -0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 2.5062 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 2.9302 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 3.1269 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2407 -2.0944 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 2.0266 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9143 -2.0810 0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 -2.6961 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6129 -3.1352 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 22 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2,5-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]thiophene

4.2 InChl

InChI=1S/C14H13F3S/c1-9-7-12(10(2)18-9)8-11-3-5-13(6-4-11)14(15,16)17/h3-7H,8H2,1-2H3

4.3 InChlKey

PXNRSYKOHWZGSK-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC(=C(S1)C)CC2=CC=C(C=C2)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