3-Iodo-5-methyl-2,4-dinitrothiophene
TL;DR: 3-Iodo-5-methyl-2,4-dinitrothiophene (CAS 874512-28-4) is a chemical compound with molecular formula C5H3IN2O4S and molecular weight 313.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-2-methyl-3,5-dinitrothiophene
Also Known As: 3-iodo-5-methyl-2,4-dinitrothiophene, 4-iodo-2-methyl-3,5-dinitrothiophene, 3-Iodo-5-methyl-2,4-dinitro-thiophene, AI-942/25121039
| Molecular Formula | C5H3IN2O4S |
|---|---|
| Molecular Weight | 313.89 g/mol |
| LogP | 2.47752 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.88583 |
| Heavy Atoms | 13 |
| Complexity | 388.13126 |
Chemical Identifiers
| CAS Number | 874512-28-4 |
|---|---|
| SMILES | CC1=C(C(=C(S1)[N+](=O)[O-])I)[N+](=O)[O-] |
Product Overview
3-Iodo-5-methyl-2,4-dinitrothiophene (CAS 874512-28-4), with molecular formula C5H3IN2O4S and molecular weight 313.89 g/mol. IUPAC: 4-iodo-2-methyl-3,5-dinitrothiophene.
Chemical Property Profile of 3-Iodo-5-methyl-2,4-dinitrothiophene
Property Insights of 3-Iodo-5-methyl-2,4-dinitrothiophene
The XLogP value of 2.47752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-5-methyl-2,4-dinitrothiophene. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Iodo-5-methyl-2,4-dinitrothiophene. Following Lipinski's Rule of Five, 3-Iodo-5-methyl-2,4-dinitrothiophene has 0 hydrogen bond donor(s) and 5 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 3-Iodo-5-methyl-2,4-dinitrothiophene?
The CAS number of 3-Iodo-5-methyl-2,4-dinitrothiophene is 874512-28-4.
What is the molecular formula of 3-Iodo-5-methyl-2,4-dinitrothiophene?
The molecular formula of 3-Iodo-5-methyl-2,4-dinitrothiophene is C5H3IN2O4S.
What is the molecular weight of 3-Iodo-5-methyl-2,4-dinitrothiophene?
The molecular weight of 3-Iodo-5-methyl-2,4-dinitrothiophene is 313.89 g/mol.
Where can I buy 3-Iodo-5-methyl-2,4-dinitrothiophene?
You can request a quote for 3-Iodo-5-methyl-2,4-dinitrothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Iodo-5-methyl-2,4-dinitrothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Iodo-5-methyl-2,4-dinitrothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.