Home Sulfos S-Phenyl 4-methylbenzenesulfonothioate

S-Phenyl 4-methylbenzenesulfonothioate

CAS No.:
3541-14-8
Catalog Number:
AG00I713
Molecular Formula:
C13H12O2S2
Molecular Weight:
264.3632
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$588
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Product Description
Catalog Number:
AG00I713
Chemical Name:
S-Phenyl 4-methylbenzenesulfonothioate
CAS Number:
3541-14-8
Molecular Formula:
C13H12O2S2
Molecular Weight:
264.3632
MDL Number:
MFCD00032259
IUPAC Name:
1-methyl-4-phenylsulfanylsulfonylbenzene
InChI:
InChI=1S/C13H12O2S2/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
PAIRPKMSBFJAQB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Sc1ccccc1
NSC Number:
49724
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.357g/mol
Monoisotopic Mass:
264.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties