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20567-01-5 | Urea, N,N''-(sulfonyldi-4,1-phenylene)bis[N'-(aminoiminomethyl)- (9CI)
CAS No: 20567-01-5 Catalog No: AG002A9C MDL No:
Product Description
Catalog Number:
AG002A9C
Chemical Name:
Urea, N,N''-(sulfonyldi-4,1-phenylene)bis[N'-(aminoiminomethyl)- (9CI)
CAS Number:
20567-01-5
Molecular Formula:
C16H18N8O4S
Molecular Weight:
418.4303
IUPAC Name:
1-(diaminomethylidene)-3-[4-[4-(diaminomethylidenecarbamoylamino)phenyl]sulfonylphenyl]urea
InChI:
InChI=1S/C16H18N8O4S/c17-13(18)23-15(25)21-9-1-5-11(6-2-9)29(27,28)12-7-3-10(4-8-12)22-16(26)24-14(19)20/h1-8H,(H5,17,18,21,23,25)(H5,19,20,22,24,26)
InChI Key:
XHBNJNZHZAJNFP-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)NC(=N)N)NC(=N)N
Properties
Complexity:
694
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.117g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
418.432g/mol
Monoisotopic Mass:
418.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
230A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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