ethyl N-(benzylcarbamothioylamino)carbamate
TL;DR: ethyl N-(benzylcarbamothioylamino)carbamate (CAS 114841-79-1) is a chemical compound with molecular formula C11H15N3O2S and molecular weight 253.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(benzylcarbamothioylamino)carbamate
Also Known As: ethyl N-(benzylcarbamothioylamino)carbamate, 3-benzylthiocarbamoyl-carbazic acid ethyl ester
| Molecular Formula | C11H15N3O2S |
|---|---|
| Molecular Weight | 253.09 g/mol |
| LogP | 1.3118 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0885 |
| Heavy Atoms | 17 |
| Complexity | 370.2391 |
Chemical Identifiers
| CAS Number | 114841-79-1 |
|---|---|
| SMILES | CCOC(=O)NNC(=S)NCC1=CC=CC=C1 |
Product Overview
ethyl N-(benzylcarbamothioylamino)carbamate (CAS 114841-79-1), with molecular formula C11H15N3O2S and molecular weight 253.09 g/mol. IUPAC: ethyl N-(benzylcarbamothioylamino)carbamate.
Chemical Property Profile of ethyl N-(benzylcarbamothioylamino)carbamate
Property Insights of ethyl N-(benzylcarbamothioylamino)carbamate
The XLogP value of 1.3118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(benzylcarbamothioylamino)carbamate. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(benzylcarbamothioylamino)carbamate. Following Lipinski's Rule of Five, ethyl N-(benzylcarbamothioylamino)carbamate has 3 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 ethyl N-(benzylcarbamothioylamino)carbamate?
The CAS number of ethyl N-(benzylcarbamothioylamino)carbamate is 114841-79-1.
What is the molecular formula of ethyl N-(benzylcarbamothioylamino)carbamate?
The molecular formula of ethyl N-(benzylcarbamothioylamino)carbamate is C11H15N3O2S.
What is the molecular weight of ethyl N-(benzylcarbamothioylamino)carbamate?
The molecular weight of ethyl N-(benzylcarbamothioylamino)carbamate is 253.09 g/mol.
Where can I buy ethyl N-(benzylcarbamothioylamino)carbamate?
You can request a quote for ethyl N-(benzylcarbamothioylamino)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(benzylcarbamothioylamino)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(benzylcarbamothioylamino)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.