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20018-09-1 | Benzene, 1-[(diiodomethyl)sulfonyl]-4-methyl-
CAS No: 20018-09-1 Catalog No: AG00I3Q3 MDL No:MFCD00072720
Product Description
Catalog Number:
AG00I3Q3
Chemical Name:
Benzene, 1-[(diiodomethyl)sulfonyl]-4-methyl-
CAS Number:
20018-09-1
Molecular Formula:
C8H8I2O2S
Molecular Weight:
422.0219
MDL Number:
MFCD00072720
IUPAC Name:
1-(diiodomethylsulfonyl)-4-methylbenzene
InChI:
InChI=1S/C8H8I2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H3
InChI Key:
XOILGBPDXMVFIP-UHFFFAOYSA-N
SMILES:
IC(S(=O)(=O)c1ccc(cc1)C)I
EC Number:
243-468-3
UNII:
FDJ36QMI3H
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.833g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
422.019g/mol
Monoisotopic Mass:
421.833g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Role of iodine in the toxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in rats: ADME. | Regulatory toxicology and pharmacology : RTP 20120401 |
| Role of iodine in diiodomethyl-p-tolylsulfone induced reproductive toxicity in rats: proposed mode of action. | Regulatory toxicology and pharmacology : RTP 20120401 |
| Diiodomethyl-p-tolylsulfone: evaluation of the mode of action for reproductive toxicity. | Regulatory toxicology and pharmacology : RTP 20120401 |
| Assessment of the developmental and reproductive toxicity of diiodomethyl-p-tolylsulfone in rats and rabbits. | Regulatory toxicology and pharmacology : RTP 20120401 |
| Subchronic toxicity and genotoxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in laboratory animals. | Regulatory toxicology and pharmacology : RTP 20120401 |
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