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19117-47-6 | Sulfonium, S,S'-[1,4-phenylenebis(methylene)]bis[S,S-diethyl-, chloride (1:2)
CAS No: 19117-47-6 Catalog No: AG002F3I MDL No:
Product Description
Catalog Number:
AG002F3I
Chemical Name:
Sulfonium, S,S'-[1,4-phenylenebis(methylene)]bis[S,S-diethyl-, chloride (1:2)
CAS Number:
19117-47-6
Molecular Formula:
C16H28Cl2S2
Molecular Weight:
355.4295
IUPAC Name:
[4-(diethylsulfoniomethyl)phenyl]methyl-diethylsulfanium;dichloride
InChI:
InChI=1S/C16H28S2.2ClH/c1-5-17(6-2)13-15-9-11-16(12-10-15)14-18(7-3)8-4;;/h9-12H,5-8,13-14H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
UGVJIWINSXFIKC-UHFFFAOYSA-L
SMILES:
CC[S+](Cc1ccc(cc1)C[S+](CC)CC)CC.[Cl-].[Cl-]
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.42g/mol
Monoisotopic Mass:
354.101g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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