Home Other Building Blocks 1,2,4-TRIS(METHYLSULFONYL)BENZENE

1,2,4-TRIS(METHYLSULFONYL)BENZENE

CAS No.:
1434128-54-7
Catalog Number:
AG003DBF
Molecular Formula:
C9H12O6S3
Molecular Weight:
312.3830
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Product Description
Catalog Number:
AG003DBF
Chemical Name:
1,2,4-TRIS(METHYLSULFONYL)BENZENE
CAS Number:
1434128-54-7
Molecular Formula:
C9H12O6S3
Molecular Weight:
312.3830
MDL Number:
MFCD24335247
IUPAC Name:
1,2,4-tris(methylsulfonyl)benzene
InChI:
InChI=1S/C9H12O6S3/c1-16(10,11)7-4-5-8(17(2,12)13)9(6-7)18(3,14)15/h4-6H,1-3H3
InChI Key:
IHTNOEYDMIRNJU-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1cc(ccc1S(=O)(=O)C)S(=O)(=O)C
Properties
Complexity:
597  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.98g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.369g/mol
Monoisotopic Mass:
311.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties