methyl N'-acetylcarbamimidothioate
TL;DR: methyl N'-acetylcarbamimidothioate (CAS 924-51-6) is a chemical compound with molecular formula C4H8N2OS and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-acetylcarbamimidothioate
Also Known As: N-Acetyl-S-methylisothiourea, methyl N'-acetylcarbamimidothioate, (NZ)-N-(amino-methylsulfanyl-methylidene)acetamide, A4133/0176257
| Molecular Formula | C4H8N2OS |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.03574 |
| Heavy Atoms | 8 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 924-51-6 |
|---|---|
| SMILES | CC(=O)N=C(N)SC |
| InChIKey | JEWBGTQEQBEXAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl N'-acetylcarbamimidothioate (CAS 924-51-6), with molecular formula C4H8N2OS and molecular weight 132.04 g/mol. IUPAC: methyl N'-acetylcarbamimidothioate.
Chemical Property Profile of methyl N'-acetylcarbamimidothioate
Property Insights of methyl N'-acetylcarbamimidothioate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-acetylcarbamimidothioate. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-acetylcarbamimidothioate. Following Lipinski's Rule of Five, methyl N'-acetylcarbamimidothioate has 1 hydrogen bond donor(s) and 2 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 methyl N'-acetylcarbamimidothioate?
The CAS number of methyl N'-acetylcarbamimidothioate is 924-51-6.
What is the molecular formula of methyl N'-acetylcarbamimidothioate?
The molecular formula of methyl N'-acetylcarbamimidothioate is C4H8N2OS.
What is the molecular weight of methyl N'-acetylcarbamimidothioate?
The molecular weight of methyl N'-acetylcarbamimidothioate is 132.04 g/mol.
Where can I buy methyl N'-acetylcarbamimidothioate?
You can request a quote for methyl N'-acetylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N'-acetylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-acetylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.