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90301-86-3

90301-86-3 | Benzene, 1,1'-[1,8-octanediylbis(sulfinylmethylene)]bis-

CAS No: 90301-86-3 Catalog No: AG006G03 MDL No:

Product Description

Catalog Number:
AG006G03
Chemical Name:
Benzene, 1,1'-[1,8-octanediylbis(sulfinylmethylene)]bis-
CAS Number:
90301-86-3
Molecular Formula:
C22H30O2S2
Molecular Weight:
390.6024
IUPAC Name:
8-benzylsulfinyloctylsulfinylmethylbenzene
InChI:
InChI=1S/C22H30O2S2/c23-25(19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-26(24)20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2
InChI Key:
WZROSPDINYYLBS-UHFFFAOYSA-N
SMILES:
O=S(Cc1ccccc1)CCCCCCCCS(=O)Cc1ccccc1

Properties

Complexity:
361  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.169g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.6g/mol
Monoisotopic Mass:
390.169g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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