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49773-20-8 | 2-(Methylsulfonyl);ethanamine
CAS No: 49773-20-8 Catalog No: AG003PYF MDL No:MFCD01862553
Product Description
Catalog Number:
AG003PYF
Chemical Name:
2-(Methylsulfonyl);ethanamine
CAS Number:
49773-20-8
Molecular Formula:
C3H9NO2S
Molecular Weight:
123.1741
MDL Number:
MFCD01862553
IUPAC Name:
2-methylsulfonylethanamine
InChI:
InChI=1S/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3
InChI Key:
SDNXQWUJWNTDCC-UHFFFAOYSA-N
SMILES:
NCCS(=O)(=O)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.035g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.17g/mol
Monoisotopic Mass:
123.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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