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关于此项目
经验公式(希尔记法):
C27H26FN3OS
化学文摘社编号:
分子量:
459.58
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
41106300
MDL number:
Assay:
≥98% (HPLC)
Form:
solid
Quality Segment
biological source
synthetic (organic)
assay
≥98% (HPLC)
form
solid
color
pale yellow
solubility
0.1 M HCl: slightly soluble, 0.1 M NaOH: slightly soluble, DMSO: soluble, H2O: insoluble, ethanol: soluble, ethyl acetate: soluble
storage temp.
−20°C
SMILES string
CC1=C(CCN2CCC(\CC2)=C(\c3ccccc3)c4ccc(F)cc4)C(=O)N5C=CSC5=N1
InChI
1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3
InChI key
MFVJXLPANKSLLD-UHFFFAOYSA-N
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存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)