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114663-15-9 | Benzenemethanaminium, N-[(4-methylphenyl)sulfonyl]-N-(phenylthio)-
CAS No: 114663-15-9 Catalog No: AG000EZG MDL No:
Product Description
Catalog Number:
AG000EZG
Chemical Name:
Benzenemethanaminium, N-[(4-methylphenyl)sulfonyl]-N-(phenylthio)-
CAS Number:
114663-15-9
Molecular Formula:
C20H20NO2S2+
Molecular Weight:
370.5083
IUPAC Name:
benzylidene-(4-methylphenyl)sulfonyl-phenylsulfanylazanium
InChI:
InChI=1S/C20H18NO2S2/c1-17-12-14-20(15-13-17)25(22,23)21(16-18-8-4-2-5-9-18)24-19-10-6-3-7-11-19/h2-16H,1H3/q+1
InChI Key:
XALSHPMUKLFRSN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)[NH+](Sc1ccccc1)Cc1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.078g/mol
Formal Charge:
1
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.489g/mol
Monoisotopic Mass:
368.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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