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16526-38-8 | 1,3-Dithiolane, 2,2'-[1,2-ethanediylbis(thio)]bis[2-(trifluoromethyl)- (9CI)
CAS No: 16526-38-8 Catalog No: AG001W1Y MDL No:
Product Description
Catalog Number:
AG001W1Y
Chemical Name:
1,3-Dithiolane, 2,2'-[1,2-ethanediylbis(thio)]bis[2-(trifluoromethyl)- (9CI)
CAS Number:
16526-38-8
Molecular Formula:
C10H12F6S6
Molecular Weight:
438.5827
IUPAC Name:
2-(trifluoromethyl)-2-[2-[[2-(trifluoromethyl)-1,3-dithiolan-2-yl]sulfanyl]ethylsulfanyl]-1,3-dithiolane
InChI:
InChI=1S/C10H12F6S6/c11-7(12,13)9(17-1-2-18-9)21-5-6-22-10(8(14,15)16)19-3-4-20-10/h1-6H2
InChI Key:
PIDQBYXUBNDCOH-UHFFFAOYSA-N
SMILES:
FC(C1(SCCSC2(SCCS2)C(F)(F)F)SCCS1)(F)F
NSC Number:
132854
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.917g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.556g/mol
Monoisotopic Mass:
437.917g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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