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54364-19-1 | 4,6-dimethylpyridine-2-thiol
CAS No: 54364-19-1 Catalog No: AG01B1F2 MDL No:MFCD27980903
Product Description
Catalog Number:
AG01B1F2
Chemical Name:
4,6-dimethylpyridine-2-thiol
CAS Number:
54364-19-1
Molecular Formula:
C7H9NS
Molecular Weight:
139.2181
MDL Number:
MFCD27980903
IUPAC Name:
4,6-dimethyl-1H-pyridine-2-thione
InChI:
InChI=1S/C7H9NS/c1-5-3-6(2)8-7(9)4-5/h3-4H,1-2H3,(H,8,9)
InChI Key:
ZVANSRULPRVUSG-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(c1)S
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.046g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.216g/mol
Monoisotopic Mass:
139.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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