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141994-27-6 | 1,3-Dithiane, 2-methyl-2-(2-naphthalenyl)-
CAS No: 141994-27-6 Catalog No: AG001HIF MDL No:
Product Description
Catalog Number:
AG001HIF
Chemical Name:
1,3-Dithiane, 2-methyl-2-(2-naphthalenyl)-
CAS Number:
141994-27-6
Molecular Formula:
C15H16S2
Molecular Weight:
260.4175
IUPAC Name:
2-methyl-2-naphthalen-2-yl-1,3-dithiane
InChI:
InChI=1S/C15H16S2/c1-15(16-9-4-10-17-15)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11H,4,9-10H2,1H3
InChI Key:
YBWHVXDRVWGCNO-UHFFFAOYSA-N
SMILES:
CC1(SCCCS1)c1ccc2c(c1)cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.413g/mol
Monoisotopic Mass:
260.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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