![4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide structure](/static/products/4778/477869-69-5.webp)
4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide
TL;DR: 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide (CAS 477869-69-5) is a chemical compound with molecular formula C20H16ClNO2S2 and molecular weight 401.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfanyl-4-[(4-methylphenyl)sulfanylmethyl]-2-nitrobenzene
Also Known As: 1P-688S, 4-chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide, 1-[(4-chlorophenyl)sulfanyl]-4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrobenzene, 1-(4-chlorophenyl)sulfanyl-4-[(4-methylphenyl)sulfanylmethyl]-2-nitrobenzene
| Molecular Formula | C20H16ClNO2S2 |
|---|---|
| Molecular Weight | 401.03 g/mol |
| LogP | 7.00012 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.0311 |
| Heavy Atoms | 26 |
| Complexity | 912.09924 |
Chemical Identifiers
| CAS Number | 477869-69-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide (CAS 477869-69-5), with molecular formula C20H16ClNO2S2 and molecular weight 401.03 g/mol. IUPAC: 1-(4-chlorophenyl)sulfanyl-4-[(4-methylphenyl)sulfanylmethyl]-2-nitrobenzene.
Chemical Property Profile of 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide
Property Insights of 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide
The XLogP value of 7.00012 indicates that 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide?
The CAS number of 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide is 477869-69-5.
What is the molecular formula of 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide?
The molecular formula of 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide is C20H16ClNO2S2.
What is the molecular weight of 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide?
The molecular weight of 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide is 401.03 g/mol.
Where can I buy 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide?
You can request a quote for 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl 4-{[(4-methylphenyl)sulfanyl]methyl}-2-nitrophenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.