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100749-49-3 | Acetamide, N-phenyl-2,2-bis(phenylsulfinyl)-
CAS No: 100749-49-3 Catalog No: AG0002S0 MDL No:
Product Description
Catalog Number:
AG0002S0
Chemical Name:
Acetamide, N-phenyl-2,2-bis(phenylsulfinyl)-
CAS Number:
100749-49-3
Molecular Formula:
C20H17NO3S2
Molecular Weight:
383.4839
IUPAC Name:
2,2-bis(benzenesulfinyl)-N-phenylacetamide
InChI:
InChI=1S/C20H17NO3S2/c22-19(21-16-10-4-1-5-11-16)20(25(23)17-12-6-2-7-13-17)26(24)18-14-8-3-9-15-18/h1-15,20H,(H,21,22)
InChI Key:
CWWKIEDSSPWGRY-UHFFFAOYSA-N
SMILES:
O=C(C(S(=O)c1ccccc1)S(=O)c1ccccc1)Nc1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.065g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.48g/mol
Monoisotopic Mass:
383.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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