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81994-64-1 | Pyridine, 2-[(2-methylphenyl)thio]-
CAS No: 81994-64-1 Catalog No: AG005EPS MDL No:
Product Description
Catalog Number:
AG005EPS
Chemical Name:
Pyridine, 2-[(2-methylphenyl)thio]-
CAS Number:
81994-64-1
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
IUPAC Name:
2-(2-methylphenyl)sulfanylpyridine
InChI:
InChI=1S/C12H11NS/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13-12/h2-9H,1H3
InChI Key:
ADDWTJXNPUILNX-UHFFFAOYSA-N
SMILES:
Cc1ccccc1Sc1ccccn1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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