Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester
TL;DR: Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester (CAS 6392-89-8) is a chemical compound with molecular formula C11H15N3OS and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N'-methyl-N-(phenylcarbamothioyl)carbamimidate
Also Known As: Sulfur mustard agent HT, ethyl N'-methyl-N-(phenylcarbamothioyl)carbamimidate, Pseudourea, 2-ethyl-3-methyl-1-(phenylcarbamothioyl)-, Pseudourea, 2-ethyl-3-methyl-1-(phenylthiocarbamoyl)-, Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester
| Molecular Formula | C11H15N3OS |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 1.9953 |
| Topological Polar Surface Area | 45.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09358 |
| Heavy Atoms | 16 |
| Complexity | 364.75223 |
Chemical Identifiers
| CAS Number | 6392-89-8 |
|---|---|
| SMILES | CCOC(=NC)NC(=S)NC1=CC=CC=C1 |
Product Overview
Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester (CAS 6392-89-8), with molecular formula C11H15N3OS and molecular weight 237.09 g/mol. IUPAC: ethyl N'-methyl-N-(phenylcarbamothioyl)carbamimidate.
Chemical Property Profile of Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester
Property Insights of Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester
The XLogP value of 1.9953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester. With a topological polar surface area (TPSA) of 45.65 Ų, Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester has 2 hydrogen bond donor(s) and 3 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 Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester?
The CAS number of Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester is 6392-89-8.
What is the molecular formula of Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester?
The molecular formula of Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester is C11H15N3OS.
What is the molecular weight of Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester?
The molecular weight of Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester is 237.09 g/mol.
Where can I buy Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester?
You can request a quote for Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidic acid, N-methyl-N'-((phenylamino)thioxomethyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.