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Home > Pyridines > 918336-54-6
918336-54-6 | 1H-Pyrrolo[2,3-c]pyridine, 2,3-dimethyl-7-[4-(methylthio)phenyl]-
CAS No: 918336-54-6 Catalog No: AG006GAP MDL No:
Product Description
Catalog Number:
AG006GAP
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine, 2,3-dimethyl-7-[4-(methylthio)phenyl]-
CAS Number:
918336-54-6
Molecular Formula:
C16H16N2S
Molecular Weight:
268.3766
IUPAC Name:
2,3-dimethyl-7-(4-methylsulfanylphenyl)-1H-pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C16H16N2S/c1-10-11(2)18-16-14(10)8-9-17-15(16)12-4-6-13(19-3)7-5-12/h4-9,18H,1-3H3
InChI Key:
KZEVXESIOONRJR-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1nccc2c1[nH]c(c2C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.378g/mol
Monoisotopic Mass:
268.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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