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119184-10-0 | Ethanamine, 2,2'-[(5-methyl-4,6-pyrimidinediyl)bis(4,1-phenylenethio)]bis[N,N-dimethyl-, conjugate diacid (9CI)
CAS No: 119184-10-0 Catalog No: AG000IAK MDL No:
Product Description
Catalog Number:
AG000IAK
Chemical Name:
Ethanamine, 2,2'-[(5-methyl-4,6-pyrimidinediyl)bis(4,1-phenylenethio)]bis[N,N-dimethyl-, conjugate diacid (9CI)
CAS Number:
119184-10-0
Molecular Formula:
C25H32N4S2
Molecular Weight:
452.6784
IUPAC Name:
2-[4-[6-[4-[2-(dimethylamino)ethylsulfanyl]phenyl]-5-methylpyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine
InChI:
InChI=1S/C25H32N4S2/c1-19-24(20-6-10-22(11-7-20)30-16-14-28(2)3)26-18-27-25(19)21-8-12-23(13-9-21)31-17-15-29(4)5/h6-13,18H,14-17H2,1-5H3
InChI Key:
TWJUYELWUWEQNE-UHFFFAOYSA-N
SMILES:
CN(CCSc1ccc(cc1)c1ncnc(c1C)c1ccc(cc1)SCCN(C)C)C
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.207g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.679g/mol
Monoisotopic Mass:
452.207g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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