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88019-08-3 | Ethenamine, 2-(phenylsulfonyl)-
CAS No: 88019-08-3 Catalog No: AG004JSG MDL No:
Product Description
Catalog Number:
AG004JSG
Chemical Name:
Ethenamine, 2-(phenylsulfonyl)-
CAS Number:
88019-08-3
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
IUPAC Name:
2-(benzenesulfonyl)ethenamine
InChI:
InChI=1S/C8H9NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-7H,9H2
InChI Key:
VBKUWEDXEROZSA-UHFFFAOYSA-N
SMILES:
NC=CS(=O)(=O)c1ccccc1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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