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166183-58-0 | 4-Pyridinecarbonitrile, 2-(hexylthio)-
CAS No: 166183-58-0 Catalog No: AG001WJ5 MDL No:
Product Description
Catalog Number:
AG001WJ5
Chemical Name:
4-Pyridinecarbonitrile, 2-(hexylthio)-
CAS Number:
166183-58-0
Molecular Formula:
C12H16N2S
Molecular Weight:
220.3338
IUPAC Name:
2-hexylsulfanylpyridine-4-carbonitrile
InChI:
InChI=1S/C12H16N2S/c1-2-3-4-5-8-15-12-9-11(10-13)6-7-14-12/h6-7,9H,2-5,8H2,1H3
InChI Key:
SWJLEPJNUGXVLM-UHFFFAOYSA-N
SMILES:
CCCCCCSc1cc(ccn1)C#N
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.334g/mol
Monoisotopic Mass:
220.103g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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