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87259-71-0 | 10,13-Dioxa-7,16-dithiadocosane
CAS No: 87259-71-0 Catalog No: AG004J81 MDL No:
Product Description
Catalog Number:
AG004J81
Chemical Name:
10,13-Dioxa-7,16-dithiadocosane
CAS Number:
87259-71-0
Molecular Formula:
C18H38O2S2
Molecular Weight:
350.6231
IUPAC Name:
1-[2-[2-(2-hexylsulfanylethoxy)ethoxy]ethylsulfanyl]hexane
InChI:
InChI=1S/C18H38O2S2/c1-3-5-7-9-15-21-17-13-19-11-12-20-14-18-22-16-10-8-6-4-2/h3-18H2,1-2H3
InChI Key:
NJOVBPOHZQTYNC-UHFFFAOYSA-N
SMILES:
CCCCCCSCCOCCOCCSCCCCCC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.231g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.62g/mol
Monoisotopic Mass:
350.231g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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