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Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-
TL;DR: Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- (CAS 31350-46-6) is a chemical compound with molecular formula C8H8I2O2S and molecular weight 421.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diiodomethylsulfonyl)-3-methylbenzene
Also Known As: Diiodomethyl m-tolyl sulfone, 3-Tolyl diiodomethyl sulfone, 1-[ sulfonyl]-3-methylbenzene, 1-(diiodomethylsulfonyl)-3-methylbenzene, Benzene, 1-((diiodomethyl)sulfonyl)-3-methyl-
| Molecular Formula | C8H8I2O2S |
|---|---|
| Molecular Weight | 421.83 g/mol |
| LogP | 2.92232 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.83344 |
| Heavy Atoms | 13 |
| Complexity | 398.36 |
Chemical Identifiers
| CAS Number | 31350-46-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)C(I)I |
Product Overview
Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- (CAS 31350-46-6), with molecular formula C8H8I2O2S and molecular weight 421.83 g/mol. IUPAC: 1-(diiodomethylsulfonyl)-3-methylbenzene.
Chemical Property Profile of Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-
Property Insights of Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-
The XLogP value of 2.92232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-. With a topological polar surface area (TPSA) of 34.14 Ų, Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-?
The CAS number of Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- is 31350-46-6.
What is the molecular formula of Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-?
The molecular formula of Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- is C8H8I2O2S.
What is the molecular weight of Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-?
The molecular weight of Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- is 421.83 g/mol.
Where can I buy Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-?
You can request a quote for Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-[(diiodomethyl)sulfonyl]-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.