Trithiobenzaldehyde
TL;DR: Trithiobenzaldehyde (CAS 5330-84-7) is a chemical compound with molecular formula C21H18S3 and molecular weight 366.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-triphenyl-1,3,5-trithiane
Also Known As: Trithiobenzaldehyde, Triphenyl-s-trithiane, Trithiobenzaldehyd, 2,4,6-Triphenyl-1,3,5-trithiane, beta-Thiobenzaldehyde
| Molecular Formula | C21H18S3 |
|---|---|
| Molecular Weight | 366.06 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.05707 |
| Heavy Atoms | 24 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 5330-84-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2SC(SC(S2)C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | HJHSNTOTXYILIV-UHFFFAOYSA-N |
Product Overview
Trithiobenzaldehyde (CAS 5330-84-7), with molecular formula C21H18S3 and molecular weight 366.06 g/mol. IUPAC: 2,4,6-triphenyl-1,3,5-trithiane.
Chemical Property Profile of Trithiobenzaldehyde
Property Insights of Trithiobenzaldehyde
The XLogP value of 6.8 indicates that Trithiobenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trithiobenzaldehyde. Following Lipinski's Rule of Five, Trithiobenzaldehyde 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 Trithiobenzaldehyde?
The CAS number of Trithiobenzaldehyde is 5330-84-7.
What is the molecular formula of Trithiobenzaldehyde?
The molecular formula of Trithiobenzaldehyde is C21H18S3.
What is the molecular weight of Trithiobenzaldehyde?
The molecular weight of Trithiobenzaldehyde is 366.06 g/mol.
Where can I buy Trithiobenzaldehyde?
You can request a quote for Trithiobenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trithiobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Trithiobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.