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144944-56-9 | 1-Propanethiol, 2,3-bis(hexadecyloxy)-
CAS No: 144944-56-9 Catalog No: AG001KE5 MDL No:
Product Description
Catalog Number:
AG001KE5
Chemical Name:
1-Propanethiol, 2,3-bis(hexadecyloxy)-
CAS Number:
144944-56-9
Molecular Formula:
C35H72O2S
Molecular Weight:
557.0100
IUPAC Name:
2,3-dihexadecoxypropane-1-thiol
InChI:
InChI=1S/C35H72O2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-33-35(34-38)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3
InChI Key:
UWBNFNCBHAINDL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCC(OCCCCCCCCCCCCCCCC)CS
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
556.525g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
557.019g/mol
Monoisotopic Mass:
556.525g/mol
Rotatable Bond Count:
34
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
15.8
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