20018-09-1,MFCD00072720
Catalog No.:AA00I3NB

20018-09-1 | Tolyl diiodomethyl sulfone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$6.00   $4.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I3NB
Chemical Name:
Tolyl diiodomethyl sulfone
CAS Number:
20018-09-1
Molecular Formula:
C8H8I2O2S
Molecular Weight:
422.0219
MDL Number:
MFCD00072720
SMILES:
IC(S(=O)(=O)c1ccc(cc1)C)I
Properties
Computed Properties
 
Complexity:
248  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Downstream Synthesis Route
4916-57-8    20018-09-1   
C12H12N2*2C8H8I2O2S 

[1]ChemicalCommunications,2019,vol.55,p.4234-4237

20018-09-1    13362-78-2   
2C8H8I2O2S*C12H10N2 

[1]ChemicalCommunications,2019,vol.55,p.4234-4237

553-26-4    20018-09-1   
C8H8I2O2S*C10H8N2 

[1]ChemicalCommunications,2019,vol.55,p.4234-4237

Literature

Title: Role of iodine in the toxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in rats: ADME.

Journal: Regulatory toxicology and pharmacology : RTP 20120401

Title: Role of iodine in diiodomethyl-p-tolylsulfone induced reproductive toxicity in rats: proposed mode of action.

Journal: Regulatory toxicology and pharmacology : RTP 20120401

Title: Diiodomethyl-p-tolylsulfone: evaluation of the mode of action for reproductive toxicity.

Journal: Regulatory toxicology and pharmacology : RTP 20120401

Title: Assessment of the developmental and reproductive toxicity of diiodomethyl-p-tolylsulfone in rats and rabbits.

Journal: Regulatory toxicology and pharmacology : RTP 20120401

Title: Subchronic toxicity and genotoxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in laboratory animals.

Journal: Regulatory toxicology and pharmacology : RTP 20120401

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Tags:20018-09-1 Molecular Formula|20018-09-1 MDL|20018-09-1 SMILES|20018-09-1 Tolyl diiodomethyl sulfone
Catalog No.: AA00I3NB
20018-09-1,MFCD00072720
20018-09-1 | Tolyl diiodomethyl sulfone
Pack Size: 250mg
Purity: 97%
in stock
$6.00 $4.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00I3NB
Chemical Name: Tolyl diiodomethyl sulfone
CAS Number: 20018-09-1
Molecular Formula: C8H8I2O2S
Molecular Weight: 422.0219
MDL Number: MFCD00072720
SMILES: IC(S(=O)(=O)c1ccc(cc1)C)I
Properties
Complexity: 248  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Downstream Synthesis Route
4916-57-8    20018-09-1   
C12H12N2*2C8H8I2O2S 

[1]ChemicalCommunications,2019,vol.55,p.4234-4237

20018-09-1    13362-78-2   
2C8H8I2O2S*C12H10N2 

[1]ChemicalCommunications,2019,vol.55,p.4234-4237

553-26-4    20018-09-1   
C8H8I2O2S*C10H8N2 

[1]ChemicalCommunications,2019,vol.55,p.4234-4237

Literature fold

Title: Role of iodine in the toxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in rats: ADME.

Journal: Regulatory toxicology and pharmacology : RTP20120401

Title: Role of iodine in diiodomethyl-p-tolylsulfone induced reproductive toxicity in rats: proposed mode of action.

Journal: Regulatory toxicology and pharmacology : RTP20120401

Title: Diiodomethyl-p-tolylsulfone: evaluation of the mode of action for reproductive toxicity.

Journal: Regulatory toxicology and pharmacology : RTP20120401

Title: Assessment of the developmental and reproductive toxicity of diiodomethyl-p-tolylsulfone in rats and rabbits.

Journal: Regulatory toxicology and pharmacology : RTP20120401

Title: Subchronic toxicity and genotoxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in laboratory animals.

Journal: Regulatory toxicology and pharmacology : RTP20120401

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