3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea
TL;DR: 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea (CAS 64803-02-7) is a chemical compound with molecular formula C11H13N3O2S3 and molecular weight 315.02 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-dimethylthiourea
Also Known As: (3E)-3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,, 3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea, N'-(1,1-Dioxo-2-phenyl-1lambda~6~,4,2-dithiazolidin-3-ylidene)-N,N-dimethylthiourea
| Molecular Formula | C11H13N3O2S3 |
|---|---|
| Molecular Weight | 315.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.017 |
| Heavy Atoms | 19 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 64803-02-7 |
|---|---|
| SMILES | CN(C)C(=S)N=C1N(S(=O)(=O)CS1)C2=CC=CC=C2 |
| InChIKey | TUCLSXPYIGIOCB-UHFFFAOYSA-N |
Product Overview
3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea (CAS 64803-02-7), with molecular formula C11H13N3O2S3 and molecular weight 315.02 g/mol. IUPAC: 3-(1,1-dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea.
Chemical Property Profile of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea
Property Insights of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea. 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-dimethylthiourea. Following Lipinski's Rule of Five, 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea 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-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea?
The CAS number of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea is 64803-02-7.
What is the molecular formula of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea?
The molecular formula of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea is C11H13N3O2S3.
What is the molecular weight of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea?
The molecular weight of 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea is 315.02 g/mol.
Where can I buy 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea?
You can request a quote for 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea 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-dimethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,1-Dioxo-2-phenyl-1,4,2-dithiazolidin-3-ylidene)-1,1-dimethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.