Name: Farnesylthiotriazole
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212710770
Cas No:156604-45-4
常用名:Farnesylthiotriazole
IUPAC:5-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}-1H-1,2,4-triazole
IUPAC:5-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}-1H-1,2,4-triazole
InChI key:QFXNCKFWHATRCH-XGGJEREUSA-N

分子式:C17H27N3S
分子量:305.48
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:5.480274
SMILES:CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ncn[nH]1 |(6.39,17.48,;6.39,15.94,;7.73,15.17,;5.06,15.17,;5.06,13.63,;3.73,12.86,;3.73,11.32,;5.06,10.55,;2.39,10.55,;2.39,9.01,;1.06,8.24,;1.06,6.7,;2.39,5.93,;-.27,5.93,;-.27,4.39,;1.06,3.62,;1.06,2.08,;2.31,1.17,;1.83,-.29,;.29,-.29,;-.19,1.17,)|
SMILES:CC(C)=CCC\C(C)=C\CC\C(C)=C\CSc1ncn[nH]1 |(6.39,17.48,;6.39,15.94,;7.73,15.17,;5.06,15.17,;5.06,13.63,;3.73,12.86,;3.73,11.32,;5.06,10.55,;2.39,10.55,;2.39,9.01,;1.06,8.24,;1.06,6.7,;2.39,5.93,;-.27,5.93,;-.27,4.39,;1.06,3.62,;1.06,2.08,;2.31,1.17,;1.83,-.29,;.29,-.29,;-.19,1.17,)|

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