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69603-59-4 | 4-[3-(3-Pyrid-4-yl-propylsulfanyl)-propyl]-pyridine
CAS No: 69603-59-4 Catalog No: AG01EX05 MDL No:MFCD06637508
Product Description
Catalog Number:
AG01EX05
Chemical Name:
4-[3-(3-Pyrid-4-yl-propylsulfanyl)-propyl]-pyridine
CAS Number:
69603-59-4
Molecular Formula:
C16H20N2S
Molecular Weight:
272.4084
MDL Number:
MFCD06637508
IUPAC Name:
4-[3-(3-pyridin-4-ylpropylsulfanyl)propyl]pyridine
InChI:
InChI=1S/C16H20N2S/c1(3-15-5-9-17-10-6-15)13-19-14-2-4-16-7-11-18-12-8-16/h5-12H,1-4,13-14H2
InChI Key:
GQBBLTFGXASNEX-UHFFFAOYSA-N
SMILES:
S(CCCc1ccncc1)CCCc1ccncc1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.135g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.41g/mol
Monoisotopic Mass:
272.135g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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