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Home > Pyridines > 137955-89-6
137955-89-6 | Phenol, 4-methyl-2,6-bis[[[2-(2-pyridinyl)ethyl]thio]methyl]-
CAS No: 137955-89-6 Catalog No: AG0017PO MDL No:
Product Description
Catalog Number:
AG0017PO
Chemical Name:
Phenol, 4-methyl-2,6-bis[[[2-(2-pyridinyl)ethyl]thio]methyl]-
CAS Number:
137955-89-6
Molecular Formula:
C23H26N2OS2
Molecular Weight:
410.5953
IUPAC Name:
4-methyl-2,6-bis(2-pyridin-2-ylethylsulfanylmethyl)phenol
InChI:
InChI=1S/C23H26N2OS2/c1-18-14-19(16-27-12-8-21-6-2-4-10-24-21)23(26)20(15-18)17-28-13-9-22-7-3-5-11-25-22/h2-7,10-11,14-15,26H,8-9,12-13,16-17H2,1H3
InChI Key:
CXKJAIFNIUGNIF-UHFFFAOYSA-N
SMILES:
Cc1cc(CSCCc2ccccn2)c(c(c1)CSCCc1ccccn1)O
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.149g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.594g/mol
Monoisotopic Mass:
410.149g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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