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Home > Pyridines > 122334-52-5
122334-52-5 | Pyridine, 2-(cyclododecylthio)-
CAS No: 122334-52-5 Catalog No: AG00174M MDL No:
Product Description
Catalog Number:
AG00174M
Chemical Name:
Pyridine, 2-(cyclododecylthio)-
CAS Number:
122334-52-5
Molecular Formula:
C17H27NS
Molecular Weight:
277.4680
IUPAC Name:
2-cyclododecylsulfanylpyridine
InChI:
InChI=1S/C17H27NS/c1-2-4-6-8-12-16(13-9-7-5-3-1)19-17-14-10-11-15-18-17/h10-11,14-16H,1-9,12-13H2
InChI Key:
ZPKAVDDWUALVLD-UHFFFAOYSA-N
SMILES:
C1CCCCCCCCC(CC1)Sc1ccccn1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.186g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.47g/mol
Monoisotopic Mass:
277.186g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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