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89025-52-5 | Pyridine, 2-(heptadecylthio)-
CAS No: 89025-52-5 Catalog No: AG0042RN MDL No:
Product Description
Catalog Number:
AG0042RN
Chemical Name:
Pyridine, 2-(heptadecylthio)-
CAS Number:
89025-52-5
Molecular Formula:
C22H39NS
Molecular Weight:
349.6168
IUPAC Name:
2-heptadecylsulfanylpyridine
InChI:
InChI=1S/C22H39NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-22-19-16-17-20-23-22/h16-17,19-20H,2-15,18,21H2,1H3
InChI Key:
KUMPBMQASQEQQW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCSc1ccccn1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.28g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.621g/mol
Monoisotopic Mass:
349.28g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10
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