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87148-53-6 | Ethanamine, N,N-diethyl-2-[[5-(phenylethynyl)-2-pyridinyl]thio]-
CAS No: 87148-53-6 Catalog No: AG004KIU MDL No:
Product Description
Catalog Number:
AG004KIU
Chemical Name:
Ethanamine, N,N-diethyl-2-[[5-(phenylethynyl)-2-pyridinyl]thio]-
CAS Number:
87148-53-6
Molecular Formula:
C19H22N2S
Molecular Weight:
310.4564
IUPAC Name:
N,N-diethyl-2-[5-(2-phenylethynyl)pyridin-2-yl]sulfanylethanamine
InChI:
InChI=1S/C19H22N2S/c1-3-21(4-2)14-15-22-19-13-12-18(16-20-19)11-10-17-8-6-5-7-9-17/h5-9,12-13,16H,3-4,14-15H2,1-2H3
InChI Key:
NQDHWQZBAMRJLI-UHFFFAOYSA-N
SMILES:
CCN(CCSc1ccc(cn1)C#Cc1ccccc1)CC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.15g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.459g/mol
Monoisotopic Mass:
310.15g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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