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141994-28-7 | 1,3-Dithiolane, 2-methyl-2-(6-methyl-2-naphthalenyl)-
CAS No: 141994-28-7 Catalog No: AG001HIE MDL No:
Product Description
Catalog Number:
AG001HIE
Chemical Name:
1,3-Dithiolane, 2-methyl-2-(6-methyl-2-naphthalenyl)-
CAS Number:
141994-28-7
Molecular Formula:
C15H16S2
Molecular Weight:
260.4175
IUPAC Name:
2-methyl-2-(6-methylnaphthalen-2-yl)-1,3-dithiolane
InChI:
InChI=1S/C15H16S2/c1-11-3-4-13-10-14(6-5-12(13)9-11)15(2)16-7-8-17-15/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
WMFXVKFSLCJUJF-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(c2)C1(C)SCCS1
Properties
Complexity:
270
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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