569643-23-8
2-(1-METHYL-2-(PHENYLTHIO)-1H-IMIDAZOL-5-YL)-1H-INDOLE
Name2-(1-METHYL-2-(PHENYLTHIO)-1H-IMIDAZOL-5-YL)-1H-INDOLE
1Identification
【Name】
2-(1-METHYL-2-(PHENYLTHIO)-1H-IMIDAZOL-5-YL)-1H-INDOLE
【CAS】
【MDL】
MFCD20229920
【English Synonyms】
【Formula】
C18 H15 N3 S
【MolWeight】
305.404
【Inchi】
InChI=1S/C18H15N3S/c1-21-17(16-11-13-7-5-6-10-15(13)20-16)12-19-18(21)22-14-8-3-2-4-9-14/h2-12,20H,1H3
【InChIKey】
InChIKey=CZNMNQHHLDZNPU-UHFFFAOYSA-N
【SMILES】
Cn1c(cnc1Sc2ccccc2)c3cc4ccccc4[nH]3
【MOL File】
2-(1-METHYL-2-(PHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(1-METHYL-2-(PHENYLTHIO)-1H-IMIDAZOL-5-YL)-1H-INDOLE.cml