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85102-58-5 | 1,3-Dithiolane, 2-methyl-2-(1-naphthalenyl)-
CAS No: 85102-58-5 Catalog No: AG004OJ4 MDL No:
Product Description
Catalog Number:
AG004OJ4
Chemical Name:
1,3-Dithiolane, 2-methyl-2-(1-naphthalenyl)-
CAS Number:
85102-58-5
Molecular Formula:
C14H14S2
Molecular Weight:
246.3910
IUPAC Name:
2-methyl-2-naphthalen-1-yl-1,3-dithiolane
InChI:
InChI=1S/C14H14S2/c1-14(15-9-10-16-14)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChI Key:
PAXSUDMIKFATHA-UHFFFAOYSA-N
SMILES:
CC1(SCCS1)c1cccc2c1cccc2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.386g/mol
Monoisotopic Mass:
246.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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