4-Nitrobenzaldehyde diphenyl mercaptal
TL;DR: 4-Nitrobenzaldehyde diphenyl mercaptal (CAS 23942-33-8) is a chemical compound with molecular formula C19H15NO2S2 and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(phenylsulfanyl)methyl]-4-nitrobenzene
Also Known As: 1-[bis(phenylsulfanyl)methyl]-4-nitrobenzene, KST-1B2056, 4-Nitrobenzaldehyde diphenyldithioacetal, 4-Nitro-benzaldehyd-diphenyldithioacetal, 4-NITROBENZALDEHYDE DIPHENYL MERCAPTAL
| Molecular Formula | C19H15NO2S2 |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.0544 |
| Heavy Atoms | 24 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 23942-33-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3 |
| InChIKey | VATMOCAQFBBCCY-UHFFFAOYSA-N |
Product Overview
4-Nitrobenzaldehyde diphenyl mercaptal (CAS 23942-33-8), with molecular formula C19H15NO2S2 and molecular weight 353.05 g/mol. IUPAC: 1-[bis(phenylsulfanyl)methyl]-4-nitrobenzene.
Chemical Property Profile of 4-Nitrobenzaldehyde diphenyl mercaptal
Property Insights of 4-Nitrobenzaldehyde diphenyl mercaptal
The XLogP value of 6.1 indicates that 4-Nitrobenzaldehyde diphenyl mercaptal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzaldehyde diphenyl mercaptal. Following Lipinski's Rule of Five, 4-Nitrobenzaldehyde diphenyl mercaptal 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-Nitrobenzaldehyde diphenyl mercaptal?
The CAS number of 4-Nitrobenzaldehyde diphenyl mercaptal is 23942-33-8.
What is the molecular formula of 4-Nitrobenzaldehyde diphenyl mercaptal?
The molecular formula of 4-Nitrobenzaldehyde diphenyl mercaptal is C19H15NO2S2.
What is the molecular weight of 4-Nitrobenzaldehyde diphenyl mercaptal?
The molecular weight of 4-Nitrobenzaldehyde diphenyl mercaptal is 353.05 g/mol.
Where can I buy 4-Nitrobenzaldehyde diphenyl mercaptal?
You can request a quote for 4-Nitrobenzaldehyde diphenyl mercaptal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzaldehyde diphenyl mercaptal?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzaldehyde diphenyl mercaptal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.