5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene
TL;DR: 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene (CAS 6324-69-2) is a chemical compound with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,3-dinitro-2-phenylsulfanylbenzene
Also Known As: ethyl 2-(N-tosylamino)acetate, 4-methyl-2,6-dinitrophenyl phenyl sulfide, 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene, 5-methyl-1,3-dinitro-2-phenylsulfanylbenzene, Benzene,5-methyl-1,3-dinitro-2-(phenylthio)-
| Molecular Formula | C13H10N2O4S |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.03613 |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 6324-69-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)[N+](=O)[O-])SC2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | BBBZZEQWIYJQIE-UHFFFAOYSA-N |
Product Overview
5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene (CAS 6324-69-2), with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol. IUPAC: 5-methyl-1,3-dinitro-2-phenylsulfanylbenzene.
Chemical Property Profile of 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene
Property Insights of 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene
The XLogP value of 4.0 indicates that 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene. Following Lipinski's Rule of Five, 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene 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 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene?
The CAS number of 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene is 6324-69-2.
What is the molecular formula of 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene?
The molecular formula of 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene is C13H10N2O4S.
What is the molecular weight of 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene?
The molecular weight of 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene is 290.04 g/mol.
Where can I buy 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene?
You can request a quote for 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3-dinitro-2-(phenylsulfanyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.