methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
TL;DR: methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate (CAS 1620807-13-7) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
Also Known As: methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate, AM-807/14960346, methyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate, methyl N'-cyano-N-(4-ethoxyphenyl)imidothiocarbamate, (Z)-methyl N'-cyano-N-(4-ethoxyphenyl)carbamimidothioate
Technical Specifications
| Molecular Formula | C11H13N3OS |
| Molecular Weight | 235.07793 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.07793 Da |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
| SMILES | CCOC1=CC=C(C=C1)N=C(NC#N)SC |
| InChIKey | GXWOATZCUAMZDB-UHFFFAOYSA-N |
Chemical Property Profile of methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
Property Insights of methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate. Following Lipinski's Rule of Five, methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
The CAS number of methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate is 1620807-13-7.
What is the molecular formula of methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
The molecular formula of methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate is C11H13N3OS.
What is the molecular weight of methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
The molecular weight of methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate is 235.07793 g/mol.
Where can I buy methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
You can request a quote for methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate?
Yes, CoreyChem provides custom synthesis services for methyl N-cyano-N'-(4-ethoxyphenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.