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117269-55-3 | Ethanamine, N,N-dimethyl-2-[[4-(4-pyrimidinyl)phenyl]thio]-
CAS No: 117269-55-3 Catalog No: AG000E06 MDL No:
Product Description
Catalog Number:
AG000E06
Chemical Name:
Ethanamine, N,N-dimethyl-2-[[4-(4-pyrimidinyl)phenyl]thio]-
CAS Number:
117269-55-3
Molecular Formula:
C14H17N3S
Molecular Weight:
259.3699
IUPAC Name:
N,N-dimethyl-2-(4-pyrimidin-4-ylphenyl)sulfanylethanamine
InChI:
InChI=1S/C14H17N3S/c1-17(2)9-10-18-13-5-3-12(4-6-13)14-7-8-15-11-16-14/h3-8,11H,9-10H2,1-2H3
InChI Key:
HNPUZYTYTIYNIB-UHFFFAOYSA-N
SMILES:
CN(CCSc1ccc(cc1)c1ccncn1)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.371g/mol
Monoisotopic Mass:
259.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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