![1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene structure](/static/products/2181/218156-19-5.webp)
1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene
TL;DR: 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene (CAS 218156-19-5) is a chemical compound with molecular formula C13H9Cl2NO2S and molecular weight 312.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-4-(4-methylphenyl)sulfanyl-5-nitrobenzene
Also Known As: 1,2-dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene, 1,2-dichloro-4-(4-methylphenyl)sulfanyl-5-nitrobenzene, 1,2-DICHLORO-4-[ THIO]-5-NITROBENZENE, 1,2-dichloro-4-[(4-methylphenyl)sulfanyl]-5-nitrobenzene, Benzene,1,2-dichloro-4-[(4-methylphenyl)thio]-5-nitro-
| Molecular Formula | C13H9Cl2NO2S |
|---|---|
| Molecular Weight | 312.97 g/mol |
| LogP | 5.36122 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.9731 |
| Heavy Atoms | 19 |
| Complexity | 629.2855 |
Chemical Identifiers
| CAS Number | 218156-19-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl |
Product Overview
1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene (CAS 218156-19-5), with molecular formula C13H9Cl2NO2S and molecular weight 312.97 g/mol. IUPAC: 1,2-dichloro-4-(4-methylphenyl)sulfanyl-5-nitrobenzene.
Chemical Property Profile of 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene
Property Insights of 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene
The XLogP value of 5.36122 indicates that 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene?
The CAS number of 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene is 218156-19-5.
What is the molecular formula of 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene?
The molecular formula of 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene is C13H9Cl2NO2S.
What is the molecular weight of 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene?
The molecular weight of 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene is 312.97 g/mol.
Where can I buy 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene?
You can request a quote for 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-4-[(4-methylphenyl)thio]-5-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.