1220411-29-9 (氟嘧硫草酯,Tiafenacil)

CAS号:
1220411-29-9
中文名称:
氟嘧硫草酯
英文名称:
Tiafenacil
分子式:
C19H18ClF4N3O5S
分子量:
511.874936580658
简介:
Tiafenacil 是一种新型的、原卟啉原 IX 氧化酶 (PPO) 的抑制剂、除草剂。Tiafenacil 对苋菜、大豆、拟南芥、油菜等多种植物的 IC50 值为 22-28 nM。

氟嘧硫草酯(1220411-29-9)名称与标识符

名称

英文别名:
Tiafenacil;methyl 3-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]sulfanylpropanoylamino]propanoate;3-[{2-[2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl)-4-fluorophenylthio]-1-oxopropyl}amino]propionic acid methyl ester;Tiafenacil 100 microg/mL in Acetonitrile;beta-Alanine, N-(2-((2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluorophenyl)thio)-1-oxopropyl)-, methyl ester;G14664;NS00133852;AKOS040754887;starbld0010392;Methyl 3-(((2RS)-2-((2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)-4-fluorophenyl)thio)propanoyl)amino)propanoate;CS-0139879;EX-A6577;Tiafenacil [ISO];Methyl 3-((2RS)-2-((2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1(2H)-yl)-4-fluorophenyl)thio)propionamido)propionate;SCHEMBL2148914;METHYL N-(2-((2-CHLORO-5-(3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL)-4-FLUOROPHENYL)THIO)-1-OXOPROPYL)-.BETA.-ALANINATE;DTXSID20873394;Methyl N-(2-((2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluorophenyl)thio)-1-oxopropyl)-beta-alaninate;DTXCID20889374;MS-29502;HY-137551;.BETA.-ALANINE, N-(2-((2-CHLORO-5-(3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL)-4-FLUOROPHENYL)THIO)-1-OXOPROPYL)-, METHYL ESTER;.beta.-Alanine, N-[2-[[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl]thio]-1-oxopropyl]-, methyl ester;1220411-29-9;6LL8M8V4YB;methyl N-(2-((2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluorophenyl) thio)-1-oxopropyl)-beta-alaninateate;Methyl RAC-3-((2R)-2-((2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)-4-fluorophenyl)sulfanyl)propanamido)propanoate;Methyl 3-(2-((2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)phenyl)thio)propanamido)propanoate;UNII-6LL8M8V4YB;ss-Alanine, N-[2-[[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl]thio]-1-oxopropyl]-, methyl ester; Tiafenacil;

标识符

InChIKey:
QPTPZPIXUPELRM-UHFFFAOYSA-N
Inchi:
1S/C19H18ClF4N3O5S/c1-9(17(30)25-5-4-16(29)32-3)33-13-7-12(11(21)6-10(13)20)27-15(28)8-14(19(22,23)24)26(2)18(27)31/h6-9H,4-5H2,1-3H3,(H,25,30)
SMILES:
ClC1=CC(=C(C=C1SC(C)C(NCCC(=O)OC)=O)N1C(C=C(C(F)(F)F)N(C)C1=O)=O)F

氟嘧硫草酯(1220411-29-9)物化性质

计算特性

  • 精确分子量 : 511.059182g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 8
  • 同位素质量 : 511.059182g/mol
  • 重原子数量 : 33
  • 复杂度 : 828
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.7
  • 拓扑分子极性表面积 : 121
  • 分子量 : 511.9g/mol

氟嘧硫草酯(1220411-29-9)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
MedChemExpress(MCE 中国) 13611715263
021-58955995
MCE生命科学试剂 2881321772
询单
天津普西唐生物医药科技有限公司 15801484223
15801484223
唐召锋 3003463702
询单
上海源溪生物科技有限公司 13564518121李经理 1724405207 询单

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