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114607-34-0 | Phosphorodiamidothioic acid, N,N'-bis(4-aminophenyl)-
CAS No: 114607-34-0 Catalog No: AG000ES7 MDL No:
Product Description
Catalog Number:
AG000ES7
Chemical Name:
Phosphorodiamidothioic acid, N,N'-bis(4-aminophenyl)-
CAS Number:
114607-34-0
Molecular Formula:
C12H15N4OPS
Molecular Weight:
294.3125
IUPAC Name:
4-N-[(4-aminoanilino)-hydroxyphosphinothioyl]benzene-1,4-diamine
InChI:
InChI=1S/C12H15N4OPS/c13-9-1-5-11(6-2-9)15-18(17,19)16-12-7-3-10(14)4-8-12/h1-8H,13-14H2,(H3,15,16,17,19)
InChI Key:
CKVLAFHSWQYGNC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)NP(=S)(Nc1ccc(cc1)N)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
294.313g/mol
Monoisotopic Mass:
294.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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