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129225-02-1 | Ethanamine, 2,2'-[3,6-pyridazinediylbis(4,1-phenylenethio)]bis[N,N-dimethyl- (9CI)
CAS No: 129225-02-1 Catalog No: AG000YYP MDL No:
Product Description
Catalog Number:
AG000YYP
Chemical Name:
Ethanamine, 2,2'-[3,6-pyridazinediylbis(4,1-phenylenethio)]bis[N,N-dimethyl- (9CI)
CAS Number:
129225-02-1
Molecular Formula:
C24H30N4S2
Molecular Weight:
438.6518
IUPAC Name:
2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]pyridazin-3-yl]phenyl]sulfanyl-N,N-dimethylethanamine
InChI:
InChI=1S/C24H30N4S2/c1-27(2)15-17-29-21-9-5-19(6-10-21)23-13-14-24(26-25-23)20-7-11-22(12-8-20)30-18-16-28(3)4/h5-14H,15-18H2,1-4H3
InChI Key:
FTMOANCFBICKIO-UHFFFAOYSA-N
SMILES:
CN(CCSc1ccc(cc1)c1ccc(nn1)c1ccc(cc1)SCCN(C)C)C
NSC Number:
619005
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.191g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.652g/mol
Monoisotopic Mass:
438.191g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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