587827-97-2
2-(5-ETHYLTHIOPHEN-2-YL)-3-FORMYL-1H-INDOLE-5-CARBONITRILE
Name2-(5-ETHYLTHIOPHEN-2-YL)-3-FORMYL-1H-INDOLE-5-CARBONITRILE
1Identification
【Name】
2-(5-ETHYLTHIOPHEN-2-YL)-3-FORMYL-1H-INDOLE-5-CARBONITRILE
【CAS】
【MDL】
MFCD05180320
【English Synonyms】
【Formula】
C16 H12 N2 O S
【MolWeight】
280.35
【Inchi】
InChI=1S/C16H12N2OS/c1-2-11-4-6-15(20-11)16-13(9-19)12-7-10(8-17)3-5-14(12)18-16/h3-7,9,18H,2H2,1H3
【InChIKey】
InChIKey=VDXWLIJLFFKSPH-UHFFFAOYSA-N
【SMILES】
CCc1ccc(s1)c2c(c3cc(ccc3[nH]2)C#N)C=O
【MOL File】
2-(5-ETHYLTHIOPHEN-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-ETHYLTHIOPHEN-2-YL)-3-FORMYL-1H-INDOLE-5-CARBONITRILE.cml