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Home > Pyridines > 180790-91-4
180790-91-4 | 4-Pyridinecarbonitrile, 2-(ethylthio)-
CAS No: 180790-91-4 Catalog No: AG0022CP MDL No:
Product Description
Catalog Number:
AG0022CP
Chemical Name:
4-Pyridinecarbonitrile, 2-(ethylthio)-
CAS Number:
180790-91-4
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
IUPAC Name:
2-ethylsulfanylpyridine-4-carbonitrile
InChI:
InChI=1S/C8H8N2S/c1-2-11-8-5-7(6-9)3-4-10-8/h3-5H,2H2,1H3
InChI Key:
YIXCRLIMMDUTFV-UHFFFAOYSA-N
SMILES:
CCSc1cc(ccn1)C#N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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