(4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate
TL;DR: (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate (CAS 201990-31-0) is a chemical compound with molecular formula C6H12N2O2S2 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-1,1-dioxothiolan-3-yl) carbamimidothioate
Also Known As: (4-methyl-1,1-dioxothiolan-3-yl) carbamimidothioate, (4-methyl-1,1-dioxo-thiolan-3-yl)sulfanylmethanimidamide, 4-methyl-1,1-dioxidotetrahydro-3-thienyl imidothiocarbamate
| Molecular Formula | C6H12N2O2S2 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 0.04617 |
| Topological Polar Surface Area | 84.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.03403 |
| Heavy Atoms | 12 |
| Complexity | 285.92322 |
Chemical Identifiers
| CAS Number | 201990-31-0 |
|---|---|
| SMILES | CC1CS(=O)(=O)CC1SC(=N)N |
Product Overview
(4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate (CAS 201990-31-0), with molecular formula C6H12N2O2S2 and molecular weight 208.03 g/mol. IUPAC: (4-methyl-1,1-dioxothiolan-3-yl) carbamimidothioate.
Chemical Property Profile of (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate
Property Insights of (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate
The XLogP value of 0.04617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate. The TPSA of 84.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate. Following Lipinski's Rule of Five, (4-Methyl-1,1-dioxothiolan-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-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate?
The CAS number of (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate is 201990-31-0.
What is the molecular formula of (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate?
The molecular formula of (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate is C6H12N2O2S2.
What is the molecular weight of (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate?
The molecular weight of (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate is 208.03 g/mol.
Where can I buy (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate?
You can request a quote for (4-Methyl-1,1-dioxothiolan-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-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-1,1-dioxothiolan-3-yl) carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.