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14961-48-9 | Pyrimidine, 2,2'-[1,5-pentanediylbis(thio)]bis[4,6-dimethyl- (9CI)
CAS No: 14961-48-9 Catalog No: AG001LW0 MDL No:
Product Description
Catalog Number:
AG001LW0
Chemical Name:
Pyrimidine, 2,2'-[1,5-pentanediylbis(thio)]bis[4,6-dimethyl- (9CI)
CAS Number:
14961-48-9
Molecular Formula:
C17H24N4S2
Molecular Weight:
348.5293
IUPAC Name:
2-[5-(4,6-dimethylpyrimidin-2-yl)sulfanylpentylsulfanyl]-4,6-dimethylpyrimidine
InChI:
InChI=1S/C17H24N4S2/c1-12-10-13(2)19-16(18-12)22-8-6-5-7-9-23-17-20-14(3)11-15(4)21-17/h10-11H,5-9H2,1-4H3
InChI Key:
XIKJZTAQWHYXMR-UHFFFAOYSA-N
SMILES:
Cc1nc(SCCCCCSc2nc(C)cc(n2)C)nc(c1)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.144g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.527g/mol
Monoisotopic Mass:
348.144g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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