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125159-34-4 | 1,2-Benzenediamine, 4-[(4-aminophenyl)thio]-
CAS No: 125159-34-4 Catalog No: AG000N95 MDL No:
Product Description
Catalog Number:
AG000N95
Chemical Name:
1,2-Benzenediamine, 4-[(4-aminophenyl)thio]-
CAS Number:
125159-34-4
Molecular Formula:
C12H13N3S
Molecular Weight:
231.3167
IUPAC Name:
4-(4-aminophenyl)sulfanylbenzene-1,2-diamine
InChI:
InChI=1S/C12H13N3S/c13-8-1-3-9(4-2-8)16-10-5-6-11(14)12(15)7-10/h1-7H,13-15H2
InChI Key:
AUTXJLFNORABNE-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1ccc(c(c1)N)N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.317g/mol
Monoisotopic Mass:
231.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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