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202146-94-9 | Benzenamine, 4-(methylsulfinyl)-N-phenyl-
CAS No: 202146-94-9 Catalog No: AG002833 MDL No:
Product Description
Catalog Number:
AG002833
Chemical Name:
Benzenamine, 4-(methylsulfinyl)-N-phenyl-
CAS Number:
202146-94-9
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
4-methylsulfinyl-N-phenylaniline
InChI:
InChI=1S/C13H13NOS/c1-16(15)13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14H,1H3
InChI Key:
LBVHIKRXWIULJC-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccc(cc1)Nc1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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