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81850-98-8 | Pyridine, 2-[(phenylsulfinyl)methyl]-
CAS No: 81850-98-8 Catalog No: AG005HTH MDL No:
Product Description
Catalog Number:
AG005HTH
Chemical Name:
Pyridine, 2-[(phenylsulfinyl)methyl]-
CAS Number:
81850-98-8
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
2-(benzenesulfinylmethyl)pyridine
InChI:
InChI=1S/C12H11NOS/c14-15(12-7-2-1-3-8-12)10-11-6-4-5-9-13-11/h1-9H,10H2
InChI Key:
VOLUOKCWFYPQDZ-UHFFFAOYSA-N
SMILES:
O=S(c1ccccc1)Cc1ccccn1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.286g/mol
Monoisotopic Mass:
217.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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