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88563-41-1 | 1,3-Dithiane, 2-(5-hexenyl)-2-phenyl-
CAS No: 88563-41-1 Catalog No: AG004DPR MDL No:
Product Description
Catalog Number:
AG004DPR
Chemical Name:
1,3-Dithiane, 2-(5-hexenyl)-2-phenyl-
CAS Number:
88563-41-1
Molecular Formula:
C16H22S2
Molecular Weight:
278.4759
IUPAC Name:
2-hex-5-enyl-2-phenyl-1,3-dithiane
InChI:
InChI=1S/C16H22S2/c1-2-3-4-8-12-16(17-13-9-14-18-16)15-10-6-5-7-11-15/h2,5-7,10-11H,1,3-4,8-9,12-14H2
InChI Key:
GLGXWIVCUQVVHV-UHFFFAOYSA-N
SMILES:
C=CCCCCC1(SCCCS1)c1ccccc1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.472g/mol
Monoisotopic Mass:
278.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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