3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
TL;DR: 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea (CAS 64803-07-2) is a chemical compound with molecular formula C16H23N3O2S3 and molecular weight 385.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
Also Known As: (3E)-3-(2-benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,, 3-(2-benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
| Molecular Formula | C16H23N3O2S3 |
|---|---|
| Molecular Weight | 385.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.09525 |
| Heavy Atoms | 24 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 64803-07-2 |
|---|---|
| SMILES | CC(C)N(C(C)C)C(=S)N=C1N(S(=O)(=O)CS1)CC2=CC=CC=C2 |
| InChIKey | XYCOCAFQTJBUEJ-UHFFFAOYSA-N |
Product Overview
3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea (CAS 64803-07-2), with molecular formula C16H23N3O2S3 and molecular weight 385.10 g/mol. IUPAC: 3-(2-benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea.
Chemical Property Profile of 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
Property Insights of 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
The XLogP value of 3.9 indicates that 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea 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-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea. Following Lipinski's Rule of Five, 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
The CAS number of 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea is 64803-07-2.
What is the molecular formula of 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
The molecular formula of 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea is C16H23N3O2S3.
What is the molecular weight of 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
The molecular weight of 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea is 385.10 g/mol.
Where can I buy 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
You can request a quote for 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.