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88111-62-0 | Pyridine, 3-[(methylsulfinyl)methyl]-
CAS No: 88111-62-0 Catalog No: AG004E9I MDL No:
Product Description
Catalog Number:
AG004E9I
Chemical Name:
Pyridine, 3-[(methylsulfinyl)methyl]-
CAS Number:
88111-62-0
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
IUPAC Name:
3-(methylsulfinylmethyl)pyridine
InChI:
InChI=1S/C7H9NOS/c1-10(9)6-7-3-2-4-8-5-7/h2-5H,6H2,1H3
InChI Key:
UKEFGIFPIOLTSL-UHFFFAOYSA-N
SMILES:
CS(=O)Cc1cccnc1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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