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Home > Aldehydes > 893734-05-9
893734-05-9 | 5-[4-(Methylsulfanyl)phenyl]-1H-indole-3-carbaldehyde
CAS No: 893734-05-9 Catalog No: AG01EYK4 MDL No:
Product Description
Catalog Number:
AG01EYK4
Chemical Name:
5-[4-(Methylsulfanyl)phenyl]-1H-indole-3-carbaldehyde
CAS Number:
893734-05-9
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
5-(4-methylsulfanylphenyl)-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C16H13NOS/c1-19-14-5-2-11(3-6-14)12-4-7-16-15(8-12)13(10-18)9-17-16/h2-10,17H,1H3
InChI Key:
QDPPJBMNQKMKCZ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1ccc2c(c1)c(C=O)c[nH]2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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