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81851-00-5 | Pyridine, 2-[(phenylsulfinyl)methyl]-, hydrochloride
CAS No: 81851-00-5 Catalog No: AG008LDY MDL No:
Product Description
Catalog Number:
AG008LDY
Chemical Name:
Pyridine, 2-[(phenylsulfinyl)methyl]-, hydrochloride
CAS Number:
81851-00-5
Molecular Formula:
C12H12ClNOS
Molecular Weight:
253.7478
IUPAC Name:
2-(benzenesulfinylmethyl)pyridine;hydrochloride
InChI:
InChI=1S/C12H11NOS.ClH/c14-15(12-7-2-1-3-8-12)10-11-6-4-5-9-13-11;/h1-9H,10H2;1H
InChI Key:
FOFHUSTXGQJYQK-UHFFFAOYSA-N
SMILES:
O=S(c1ccccc1)Cc1ccccn1.Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.744g/mol
Monoisotopic Mass:
253.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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