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Home > Pyridines > 100056-23-3
100056-23-3 | Pyridine, 3-(hexylthio)-
CAS No: 100056-23-3 Catalog No: AG0000QN MDL No:
Product Description
Catalog Number:
AG0000QN
Chemical Name:
Pyridine, 3-(hexylthio)-
CAS Number:
100056-23-3
Molecular Formula:
C11H17NS
Molecular Weight:
195.3244
IUPAC Name:
3-hexylsulfanylpyridine
InChI:
InChI=1S/C11H17NS/c1-2-3-4-5-9-13-11-7-6-8-12-10-11/h6-8,10H,2-5,9H2,1H3
InChI Key:
LBVMXEAJOWVKQI-UHFFFAOYSA-N
SMILES:
CCCCCCSc1cccnc1
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.108g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.324g/mol
Monoisotopic Mass:
195.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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