(4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate
TL;DR: (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate (CAS 850747-27-2) is a chemical compound with molecular formula C5H7ClN2O2S2 and molecular weight 225.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate
Also Known As: 4-chloro-1,1-dioxido-2,3-dihydro-3-thienyl imidothiocarbamate, (4-chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate, (4-chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl)sulfanylmethanimidamide
| Molecular Formula | C5H7ClN2O2S2 |
|---|---|
| Molecular Weight | 225.96 g/mol |
| LogP | 0.49027 |
| Topological Polar Surface Area | 84.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.96375 |
| Heavy Atoms | 12 |
| Complexity | 335.3574 |
Chemical Identifiers
| CAS Number | 850747-27-2 |
|---|---|
| SMILES | C1C(C(=CS1(=O)=O)Cl)SC(=N)N |
Product Overview
(4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate (CAS 850747-27-2), with molecular formula C5H7ClN2O2S2 and molecular weight 225.96 g/mol. IUPAC: (4-chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate.
Chemical Property Profile of (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate
Property Insights of (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate
The XLogP value of 0.49027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate. The TPSA of 84.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate. Following Lipinski's Rule of Five, (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate has 2 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 (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate?
The CAS number of (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate is 850747-27-2.
What is the molecular formula of (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate?
The molecular formula of (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate is C5H7ClN2O2S2.
What is the molecular weight of (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate?
The molecular weight of (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate is 225.96 g/mol.
Where can I buy (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate?
You can request a quote for (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-1,1-dioxo-2,3-dihydrothiophen-3-yl) carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.