857499-88-8
2-(1H-INDOL-7-YLTHIO)-N-METHYL-BENZENEMETHANAMINE
Name2-(1H-INDOL-7-YLTHIO)-N-METHYL-BENZENEMETHANAMINE
1Identification
【Name】
2-(1H-INDOL-7-YLTHIO)-N-METHYL-BENZENEMETHANAMINE
【CAS】
【MDL】
MFCD13183497
【English Synonyms】
【Formula】
C16 H16 N2 S
【MolWeight】
268.382
【Inchi】
InChI=1S/C16H16N2S/c1-17-11-13-5-2-3-7-14(13)19-15-8-4-6-12-9-10-18-16(12)15/h2-10,17-18H,11H2,1H3
【InChIKey】
InChIKey=GZQUBFPBIFPJOY-UHFFFAOYSA-N
【SMILES】
CNCc1ccccc1Sc2cccc3c2[nH]cc3
【MOL File】
2-(1H-INDOL-7-YLTHIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(1H-INDOL-7-YLTHIO)-N-METHYL-BENZENEMETHANAMINE.cml