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1339388-73-6 | 1-iodo-3-methanesulfonylpropane
CAS No: 1339388-73-6 Catalog No: AG019TI6 MDL No:MFCD20414742
Product Description
Catalog Number:
AG019TI6
Chemical Name:
1-iodo-3-methanesulfonylpropane
CAS Number:
1339388-73-6
Molecular Formula:
C4H9IO2S
Molecular Weight:
248.0825
MDL Number:
MFCD20414742
IUPAC Name:
1-iodo-3-methylsulfonylpropane
InChI:
InChI=1S/C4H9IO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
InChI Key:
IVFMJYBWFQMABO-UHFFFAOYSA-N
SMILES:
ICCCS(=O)(=O)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.937g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.078g/mol
Monoisotopic Mass:
247.937g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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