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89818-48-4 | Pyridine, 4-[(phenylmethyl)sulfinyl]-
CAS No: 89818-48-4 Catalog No: AG003XUZ MDL No:
Product Description
Catalog Number:
AG003XUZ
Chemical Name:
Pyridine, 4-[(phenylmethyl)sulfinyl]-
CAS Number:
89818-48-4
Molecular Formula:
C12H11NOS
Molecular Weight:
217.2868
IUPAC Name:
4-benzylsulfinylpyridine
InChI:
InChI=1S/C12H11NOS/c14-15(12-6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
QQCPDKFHCNPLIB-UHFFFAOYSA-N
SMILES:
O=S(c1ccncc1)Cc1ccccc1
Properties
Complexity:
208
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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