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458783

Sigma-Aldrich

1,3-Bis(benzyloxycarbonyl)-2-methyl-2-thiopseudourea

95%

Synonym(s):

1,3-Bis(benzyloxycarbonyl)-2-methylisothiourea, 2-Methyl-1,3-di-Z-isothiourea

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About This Item

Linear Formula:
C6H5CH2O2CN=C(SCH3)NHCO2CH2C6H5
CAS Number:
25508-20-7
Molecular Weight:
358.41
Beilstein:
9211307
MDL number:
MFCD00674040
UNSPSC Code:
12352100
PubChem Substance ID:
24869503
NACRES:
NA.22

Assay

95%

form

solid

mp

60-63 °C (lit.)

functional group

amine
phenyl
thioether

SMILES string

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 key

CGAMNSKIHXUDMK-UHFFFAOYSA-N

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Related Categories

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
0000330341
0000330341
0000256498
0000240625
MKCD5823

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Application of molecular topology to the search of novel NSAIDs: experimental validation of activity.
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