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28526-19-4

28526-19-4 | Decane, 1,10-bis(ethylmethylthio)-, iodide (1:2)

CAS No: 28526-19-4 Catalog No: AG002VMV MDL No:

Product Description

Catalog Number:
AG002VMV
Chemical Name:
Decane, 1,10-bis(ethylmethylthio)-, iodide (1:2)
CAS Number:
28526-19-4
Molecular Formula:
C16H34I2S2--
Molecular Weight:
544.3801
IUPAC Name:
ethyl-[10-[ethyl(methyl)sulfonio]decyl]-methylsulfanium;diiodide
InChI:
InChI=1S/C16H36S2.2HI/c1-5-17(3)15-13-11-9-7-8-10-12-14-16-18(4)6-2;;/h5-16H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
BTLFTOKPCVOKKO-UHFFFAOYSA-L
SMILES:
CCCSCCCCCCCCCCSCCC.[I-].[I-]

Properties

Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
546.035g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
546.393g/mol
Monoisotopic Mass:
546.035g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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