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128959-11-5 | 1,2-Benzenediol, 4-[[2-[2-(methylamino)propyl]phenyl]thio]-
CAS No: 128959-11-5 Catalog No: AG000YQI MDL No:
Product Description
Catalog Number:
AG000YQI
Chemical Name:
1,2-Benzenediol, 4-[[2-[2-(methylamino)propyl]phenyl]thio]-
CAS Number:
128959-11-5
Molecular Formula:
C16H19NO2S
Molecular Weight:
289.3926
IUPAC Name:
4-[2-[2-(methylamino)propyl]phenyl]sulfanylbenzene-1,2-diol
InChI:
InChI=1S/C16H19NO2S/c1-11(17-2)9-12-5-3-4-6-16(12)20-13-7-8-14(18)15(19)10-13/h3-8,10-11,17-19H,9H2,1-2H3
InChI Key:
ILLAPBZUXFDMBV-UHFFFAOYSA-N
SMILES:
CNC(Cc1ccccc1Sc1ccc(c(c1)O)O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.393g/mol
Monoisotopic Mass:
289.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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