477848-99-0
2-((1-((4-METHYLPHENYL)SULFONYL)-1H-INDOL-3-YL)METHYLENE)MALONONITRILE
Name2-((1-((4-METHYLPHENYL)SULFONYL)-1H-INDOL-3-YL)METHYLENE)MALONONITRILE
1Identification
【Name】
2-((1-((4-METHYLPHENYL)SULFONYL)-1H-INDOL-3-YL)METHYLENE)MALONONITRILE
【CAS】
【MDL】
MFCD02571983
【English Synonyms】
【Formula】
C19 H13 N3 O2 S
【MolWeight】
347.397
【Inchi】
InChI=1S/C19H13N3O2S/c1-14-6-8-17(9-7-14)25(23,24)22-13-16(10-15(11-20)12-21)18-4-2-3-5-19(18)22/h2-10,13H,1H3
【InChIKey】
InChIKey=DQRYXIIUHKGHQA-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)n2cc(c3c2cccc3)C=C(C#N)C#N
【MOL File】
2-((1-((4-METHYLPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((1-((4-METHYLPHENYL)SULFONYL)-1H-INDOL-3-YL)METHYLENE)MALONONITRILE.cml