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78285-58-2 | Pyridine, 4,4'-thiobis[3-methyl-
CAS No: 78285-58-2 Catalog No: AG005C0K MDL No:
Product Description
Catalog Number:
AG005C0K
Chemical Name:
Pyridine, 4,4'-thiobis[3-methyl-
CAS Number:
78285-58-2
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
IUPAC Name:
3-methyl-4-(3-methylpyridin-4-yl)sulfanylpyridine
InChI:
InChI=1S/C12H12N2S/c1-9-7-13-5-3-11(9)15-12-4-6-14-8-10(12)2/h3-8H,1-2H3
InChI Key:
BCQODAPXLTXVEH-UHFFFAOYSA-N
SMILES:
Cc1cnccc1Sc1ccncc1C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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