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Home > Pyridines > 303146-29-4
303146-29-4 | 5-acetyl-6-methyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile
CAS No: 303146-29-4 Catalog No: AG00IUS4 MDL No:MFCD00793175
Product Description
Catalog Number:
AG00IUS4
Chemical Name:
5-acetyl-6-methyl-2-(prop-2-yn-1-ylsulfanyl)pyridine-3-carbonitrile
CAS Number:
303146-29-4
Molecular Formula:
C12H10N2OS
Molecular Weight:
230.2856
MDL Number:
MFCD00793175
IUPAC Name:
5-acetyl-6-methyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H10N2OS/c1-4-5-16-12-10(7-13)6-11(9(3)15)8(2)14-12/h1,6H,5H2,2-3H3
InChI Key:
BDQLINGXAIBTDB-UHFFFAOYSA-N
SMILES:
C#CCSc1nc(C)c(cc1C#N)C(=O)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.285g/mol
Monoisotopic Mass:
230.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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