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88278-47-1 | 1,3-Dithiolane, 2-hexyl-2-(7-octynyl)-
CAS No: 88278-47-1 Catalog No: AG004BHV MDL No:
Product Description
Catalog Number:
AG004BHV
Chemical Name:
1,3-Dithiolane, 2-hexyl-2-(7-octynyl)-
CAS Number:
88278-47-1
Molecular Formula:
C17H30S2
Molecular Weight:
298.5501
IUPAC Name:
2-hexyl-2-oct-7-ynyl-1,3-dithiolane
InChI:
InChI=1S/C17H30S2/c1-3-5-7-9-10-12-14-17(18-15-16-19-17)13-11-8-6-4-2/h1H,4-16H2,2H3
InChI Key:
KRRFGQPJJXPBHV-UHFFFAOYSA-N
SMILES:
CCCCCCC1(CCCCCCC#C)SCCS1
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.179g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.547g/mol
Monoisotopic Mass:
298.179g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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