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Home > Pyridines > 116414-44-9
116414-44-9 | 4(1H)-Pyridinethione, 2,3-dihydro-1-methyl-
CAS No: 116414-44-9 Catalog No: AG000CFZ MDL No:
Product Description
Catalog Number:
AG000CFZ
Chemical Name:
4(1H)-Pyridinethione, 2,3-dihydro-1-methyl-
CAS Number:
116414-44-9
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
IUPAC Name:
1-methyl-2,3-dihydropyridine-4-thione
InChI:
InChI=1S/C6H9NS/c1-7-4-2-6(8)3-5-7/h2,4H,3,5H2,1H3
InChI Key:
YRAGEEVTDHPKDV-UHFFFAOYSA-N
SMILES:
CN1CCC(=S)C=C1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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