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Home > Pyridines > 175921-30-9
175921-30-9 | 1(4H)-Pyridinedecanethiol, 4-(1-octyl-4(1H)-pyridinylidene)-
CAS No: 175921-30-9 Catalog No: AG0021AN MDL No:
Product Description
Catalog Number:
AG0021AN
Chemical Name:
1(4H)-Pyridinedecanethiol, 4-(1-octyl-4(1H)-pyridinylidene)-
CAS Number:
175921-30-9
Molecular Formula:
C28H46N2S
Molecular Weight:
442.7432
IUPAC Name:
10-[4-(1-octylpyridin-4-ylidene)pyridin-1-yl]decane-1-thiol
InChI:
InChI=1S/C28H46N2S/c1-2-3-4-5-10-13-20-29-22-16-27(17-23-29)28-18-24-30(25-19-28)21-14-11-8-6-7-9-12-15-26-31/h16-19,22-25,31H,2-15,20-21,26H2,1H3
InChI Key:
YXIFRRGFWGUFDB-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1ccc(=c2ccn(cc2)CCCCCCCCCCS)cc1
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.338g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
442.75g/mol
Monoisotopic Mass:
442.338g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
7.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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