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89835-74-5 | Oxazole, 2,2'-[1-(octylthio)-1,2-ethanediyl]bis[4,5-dihydro-4,4-dimethyl-
CAS No: 89835-74-5 Catalog No: AG003XP7 MDL No:
Product Description
Catalog Number:
AG003XP7
Chemical Name:
Oxazole, 2,2'-[1-(octylthio)-1,2-ethanediyl]bis[4,5-dihydro-4,4-dimethyl-
CAS Number:
89835-74-5
Molecular Formula:
C20H36N2O2S
Molecular Weight:
368.5770
IUPAC Name:
2-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1-octylsulfanylethyl]-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C20H36N2O2S/c1-6-7-8-9-10-11-12-25-16(18-22-20(4,5)15-24-18)13-17-21-19(2,3)14-23-17/h16H,6-15H2,1-5H3
InChI Key:
XCCKVFUEMMFBRZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCSC(C1=NC(CO1)(C)C)CC1=NC(CO1)(C)C
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.25g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.58g/mol
Monoisotopic Mass:
368.25g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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