3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
TL;DR: 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea (CAS 64803-04-9) is a chemical compound with molecular formula C10H19N3O2S3 and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
Also Known As: (3E)-3-(2-methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,, (3E)-3-(2-methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea, 3-(2-methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
| Molecular Formula | C10H19N3O2S3 |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.06393 |
| Heavy Atoms | 18 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 64803-04-9 |
|---|---|
| SMILES | CC(C)N(C(C)C)C(=S)N=C1N(S(=O)(=O)CS1)C |
| InChIKey | FGPHTJFNPSDMIL-UHFFFAOYSA-N |
Product Overview
3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea (CAS 64803-04-9), with molecular formula C10H19N3O2S3 and molecular weight 309.06 g/mol. IUPAC: 3-(2-methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea.
Chemical Property Profile of 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
Property Insights of 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea. Following Lipinski's Rule of Five, 3-(2-Methyl-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-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
The CAS number of 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea is 64803-04-9.
What is the molecular formula of 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
The molecular formula of 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea is C10H19N3O2S3.
What is the molecular weight of 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
The molecular weight of 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea is 309.06 g/mol.
Where can I buy 3-(2-Methyl-1,1-dioxo-1,4,2-dithiazolidin-3-ylidene)-1,1-di(propan-2-yl)thiourea?
You can request a quote for 3-(2-Methyl-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-Methyl-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-Methyl-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.