3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
TL;DR: 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea (CAS 64803-10-7) is a chemical compound with molecular formula C21H17N3O2S3 and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
Also Known As: (3Z)-3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,, (3Z)-3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea, 3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
| Molecular Formula | C21H17N3O2S3 |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.04828 |
| Heavy Atoms | 29 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 64803-10-7 |
|---|---|
| SMILES | C1SC(=NC(=S)N(C2=CC=CC=C2)C3=CC=CC=C3)N(S1(=O)=O)C4=CC=CC=C4 |
| InChIKey | WHFLLSDSNHZKAX-UHFFFAOYSA-N |
Product Overview
3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea (CAS 64803-10-7), with molecular formula C21H17N3O2S3 and molecular weight 439.05 g/mol. IUPAC: 3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea.
Chemical Property Profile of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
Property Insights of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea
The XLogP value of 5.5 indicates that 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea. Following Lipinski's Rule of Five, 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea 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 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea?
The CAS number of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea is 64803-10-7.
What is the molecular formula of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea?
The molecular formula of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea is C21H17N3O2S3.
What is the molecular weight of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea?
The molecular weight of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea is 439.05 g/mol.
Where can I buy 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea?
You can request a quote for 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-diphenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.