590347-13-0
5-(TERT-BUTYL)-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOLE-3-CARBALDEHYDE
Name5-(TERT-BUTYL)-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOLE-3-CARBALDEHYDE
1Identification
【Name】
5-(TERT-BUTYL)-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOLE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD05180740
【English Synonyms】
【Formula】
C18 H19 N O S
【MolWeight】
297.42
【Inchi】
InChI=1S/C18H19NOS/c1-11-5-8-16(21-11)17-14(10-20)13-9-12(18(2,3)4)6-7-15(13)19-17/h5-10,19H,1-4H3
【InChIKey】
InChIKey=RROKJMRNGYILLI-UHFFFAOYSA-N
【SMILES】
Cc1ccc(s1)c2c(c3cc(ccc3[nH]2)C(C)(C)C)C=O
【MOL File】
5-(TERT-BUTYL)-2-(5-….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-(TERT-BUTYL)-2-(5-METHYLTHIOPHEN-2-YL)-1H-INDOLE-3-CARBALDEHYDE.cml