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865074-52-8

865074-52-8 | 2-Methyl-4-(3-{[3-(2-methylpyridin-4-yl)propyl]sulfanyl}propyl)pyridine

CAS No: 865074-52-8 Catalog No: AG01EXXG MDL No:

Product Description

Catalog Number:
AG01EXXG
Chemical Name:
2-Methyl-4-(3-{[3-(2-methylpyridin-4-yl)propyl]sulfanyl}propyl)pyridine
CAS Number:
865074-52-8
Molecular Formula:
C18H24N2S
Molecular Weight:
300.4616
IUPAC Name:
2-methyl-4-[3-[3-(2-methylpyridin-4-yl)propylsulfanyl]propyl]pyridine
InChI:
InChI=1S/C18H24N2S/c1-15-13-17(7-9-19-15)5-3-11-21-12-4-6-18-8-10-20-16(2)14-18/h7-10,13-14H,3-6,11-12H2,1-2H3
InChI Key:
UHEPCLKGZYZITJ-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)CCCSCCCc1ccnc(c1)C

Properties

Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.166g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.464g/mol
Monoisotopic Mass:
300.166g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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