Home Sulfos Benzenesulfonothioicacid, 4-methyl-, S-methyl ester

Benzenesulfonothioicacid, 4-methyl-, S-methyl ester

CAS No.:
4973-66-4
Catalog Number:
AG006YAR
Molecular Formula:
C8H10O2S2
Molecular Weight:
202.2938
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Product Description
Catalog Number:
AG006YAR
Chemical Name:
Benzenesulfonothioicacid, 4-methyl-, S-methyl ester
CAS Number:
4973-66-4
Molecular Formula:
C8H10O2S2
Molecular Weight:
202.2938
MDL Number:
MFCD00026036
IUPAC Name:
1-methyl-4-methylsulfanylsulfonylbenzene
InChI:
InChI=1S/C8H10O2S2/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
InChI Key:
YSAGJMNZJWNJOL-UHFFFAOYSA-N
SMILES:
CSS(=O)(=O)c1ccc(cc1)C
EC Number:
225-621-6
NSC Number:
509687
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.012g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.286g/mol
Monoisotopic Mass:
202.012g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties