62455-63-4
2-(4-METHOXYBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
Name
2-(4-METHOXYBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
Formula
C13 H13 N O2 S2
MolWeight
279.383
1Identification
【Name】
2-(4-METHOXYBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE
【CAS】
【MDL】
MFCD00067892
【English Synonyms】
【Formula】
C13 H13 N O2 S2
【MolWeight】
279.383
【Inchi】
InChI=1S/C13H13NO2S2/c1-16-10-6-4-9(5-7-10)12(15)11(8-14)13(17-2)18-3/h4-7H,1-3H3
【InChIKey】
InChIKey=ZDJAFJFCFYXUKV-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)C(=O)C(=C(SC)SC)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-METHOXYBENZOYL)-3,3-DI(METHYLTHIO)ACRYLONITRILE.cml
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