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119-59-5 | Benzenamine, 4,4'-sulfinylbis-
CAS No: 119-59-5 Catalog No: AG000P04 MDL No:
Product Description
Catalog Number:
AG000P04
Chemical Name:
Benzenamine, 4,4'-sulfinylbis-
CAS Number:
119-59-5
Molecular Formula:
C12H12N2OS
Molecular Weight:
232.3015
IUPAC Name:
4-(4-aminophenyl)sulfinylaniline
InChI:
InChI=1S/C12H12N2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChI Key:
MITHMOYLTXMLRB-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)S(=O)c1ccc(cc1)N
UNII:
4I647535GW
NSC Number:
6090
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.301g/mol
Monoisotopic Mass:
232.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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