400081-67-6
5-METHYL-3-(((5-(PHENOXYMETHYL)-1,3,4-OXADIAZOL-2-YL)METHYL)SULFANYL)-4-ISOTHIAZOLECARBONITRILE
Name5-METHYL-3-(((5-(PHENOXYMETHYL)-1,3,4-OXADIAZOL-2-YL)METHYL)SULFANYL)-4-ISOTHIAZOLECARBONITRILE
1Identification
【Name】
5-METHYL-3-(((5-(PHENOXYMETHYL)-1,3,4-OXADIAZOL-2-YL)METHYL)SULFANYL)-4-ISOTHIAZOLECARBONITRILE
【CAS】
【MDL】
MFCD00215694
【English Synonyms】
【Formula】
C15 H12 N4 O2 S2
【MolWeight】
344.418
【Inchi】
InChI=1S/C15H12N4O2S2/c1-10-12(7-16)15(19-23-10)22-9-14-18-17-13(21-14)8-20-11-5-3-2-4-6-11/h2-6H,8-9H2,1H3
【InChIKey】
InChIKey=PERFPKULARADPZ-UHFFFAOYSA-N
【SMILES】
Cc1c(c(ns1)SCc2nnc(o2)COc3ccccc3)C#N
【MOL File】
5-METHYL-3-(((5-(PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-3-(((5-(PHENOXYMETHYL)-1,3,4-OXADIAZOL-2-YL)METHYL)SULFANYL)-4-ISOTHIAZOLECARBONITRILE.cml