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Home > Pyridines > 650605-96-2
650605-96-2 | 3-Pyridinecarbonitrile, 6-(1,1-dimethylethyl)-2-methyl-4-(2-thienyl)-
CAS No: 650605-96-2 Catalog No: AG00H5WV MDL No:
Product Description
Catalog Number:
AG00H5WV
Chemical Name:
3-Pyridinecarbonitrile, 6-(1,1-dimethylethyl)-2-methyl-4-(2-thienyl)-
CAS Number:
650605-96-2
Molecular Formula:
C15H16N2S
Molecular Weight:
256.3659
IUPAC Name:
6-tert-butyl-2-methyl-4-thiophen-2-ylpyridine-3-carbonitrile
InChI:
InChI=1S/C15H16N2S/c1-10-12(9-16)11(13-6-5-7-18-13)8-14(17-10)15(2,3)4/h5-8H,1-4H3
InChI Key:
OFQUNZRYBPMRCG-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nc(cc1c1cccs1)C(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.367g/mol
Monoisotopic Mass:
256.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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