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Merck
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文件

458783

Sigma-Aldrich

1,3-二(苄氧基羰基)-2-甲基异硫代脲

95%

同義詞:

1,3-双(苄氧基羰基)-2-甲基异硫脲, 2-甲基-1,3-二-Z-异硫脲

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About This Item

線性公式:
C6H5CH2O2CN=C(SCH3)NHCO2CH2C6H5
CAS號碼:
分子量::
358.41
Beilstein:
9211307
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

化驗

95%

形狀

solid

mp

60-63 °C (lit.)

SMILES 字串

CS\C(NC(=O)OCc1ccccc1)=N/C(=O)OCc2ccccc2

InChI

1S/C18H18N2O4S/c1-25-16(19-17(21)23-12-14-8-4-2-5-9-14)20-18(22)24-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,20,21,22)

InChI 密鑰

CGAMNSKIHXUDMK-UHFFFAOYSA-N

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儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

Eyeshields, Gloves, type N95 (US)


分析證明 (COA)

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David M Raffel et al.
Journal of medicinal chemistry, 50(9), 2078-2088 (2007-04-11)
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Application of molecular topology to the search of novel NSAIDs: experimental validation of activity.
Galvez-Llompart M, et al.
Letters in Drug Design & Discovery, 7(6), 438-445 (2010)

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