588671-41-4
5-BUTYL-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOLE-3-CARBALDEHYDE
Name5-BUTYL-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOLE-3-CARBALDEHYDE
1Identification
【Name】
5-BUTYL-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOLE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD05180646
【English Synonyms】
【Formula】
C18 H19 N O S
【MolWeight】
297.42
【Inchi】
InChI=1S/C18H19NOS/c1-3-4-5-13-7-8-16-14(10-13)15(11-20)18(19-16)17-9-6-12(2)21-17/h6-11,19H,3-5H2,1-2H3
【InChIKey】
InChIKey=YKMKZNAUZXKCSF-UHFFFAOYSA-N
【SMILES】
CCCCc1ccc2c(c1)c(c([nH]2)c3ccc(s3)C)C=O
【MOL File】
5-BUTYL-2-(5-METHYLT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BUTYL-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOLE-3-CARBALDEHYDE.cml