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129224-78-8 | Ethanamine, 2-[[4-[3-[[2-(dimethylamino)ethyl]thio]phenyl]-2-pyrimidinyl]thio]-N,N-dimethyl-
CAS No: 129224-78-8 Catalog No: AG000YYW MDL No:
Product Description
Catalog Number:
AG000YYW
Chemical Name:
Ethanamine, 2-[[4-[3-[[2-(dimethylamino)ethyl]thio]phenyl]-2-pyrimidinyl]thio]-N,N-dimethyl-
CAS Number:
129224-78-8
Molecular Formula:
C18H26N4S2
Molecular Weight:
362.5558
IUPAC Name:
2-[3-[2-[2-(dimethylamino)ethylsulfanyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine
InChI:
InChI=1S/C18H26N4S2/c1-21(2)10-12-23-16-7-5-6-15(14-16)17-8-9-19-18(20-17)24-13-11-22(3)4/h5-9,14H,10-13H2,1-4H3
InChI Key:
CPMOHYYYNYDKDJ-UHFFFAOYSA-N
SMILES:
CN(CCSc1cccc(c1)c1ccnc(n1)SCCN(C)C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.16g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.554g/mol
Monoisotopic Mass:
362.16g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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