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Home > Pyridines > 865074-51-7
865074-51-7 | 4-(4-Butyl-tetrahydro-thiopyran-4-yl)-2-methyl-pyridine
CAS No: 865074-51-7 Catalog No: AG01EXXF MDL No:MFCD06637850
Product Description
Catalog Number:
AG01EXXF
Chemical Name:
4-(4-Butyl-tetrahydro-thiopyran-4-yl)-2-methyl-pyridine
CAS Number:
865074-51-7
Molecular Formula:
C15H23NS
Molecular Weight:
249.4148
MDL Number:
MFCD06637850
IUPAC Name:
4-(4-butylthian-4-yl)-2-methylpyridine
InChI:
InChI=1S/C15H23NS/c1-3-4-6-15(7-10-17-11-8-15)14-5-9-16-13(2)12-14/h5,9,12H,3-4,6-8,10-11H2,1-2H3
InChI Key:
LASSGLGABLCEEM-UHFFFAOYSA-N
SMILES:
CCCCC1(CCSCC1)c1ccnc(c1)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.155g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.416g/mol
Monoisotopic Mass:
249.155g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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