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86570-89-0 | 1,3-Dithiane, 5-hexyl-2-(4-hexylcyclohexyl)-
CAS No: 86570-89-0 Catalog No: AG004UKV MDL No:
Product Description
Catalog Number:
AG004UKV
Chemical Name:
1,3-Dithiane, 5-hexyl-2-(4-hexylcyclohexyl)-
CAS Number:
86570-89-0
Molecular Formula:
C22H42S2
Molecular Weight:
370.6989
IUPAC Name:
5-hexyl-2-(4-hexylcyclohexyl)-1,3-dithiane
InChI:
InChI=1S/C22H42S2/c1-3-5-7-9-11-19-13-15-21(16-14-19)22-23-17-20(18-24-22)12-10-8-6-4-2/h19-22H,3-18H2,1-2H3
InChI Key:
PVHXWNXQJRMJNT-UHFFFAOYSA-N
SMILES:
CCCCCCC1CCC(CC1)C1SCC(CS1)CCCCCC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.273g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.698g/mol
Monoisotopic Mass:
370.273g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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