![ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate structure](/static/products/7208/72082-36-1.webp)
ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate
TL;DR: ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate (CAS 72082-36-1) is a chemical compound with molecular formula C9H12N4O4S and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate
Also Known As: ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate, Ethyl [(1-methyl-4-nitro-1H-pyrrol-3-yl)carbamothioyl]carbamate
| Molecular Formula | C9H12N4O4S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 1.3762 |
| Topological Polar Surface Area | 98.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.05792 |
| Heavy Atoms | 18 |
| Complexity | 484.91223 |
Chemical Identifiers
| CAS Number | 72082-36-1 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=CN(C=C1[N+](=O)[O-])C |
Product Overview
ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate (CAS 72082-36-1), with molecular formula C9H12N4O4S and molecular weight 272.06 g/mol. IUPAC: ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate.
Chemical Property Profile of ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate
Property Insights of ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate
The XLogP value of 1.3762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate. The TPSA of 98.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate has 2 hydrogen bond donor(s) and 5 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-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate?
The CAS number of ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate is 72082-36-1.
What is the molecular formula of ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate?
The molecular formula of ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate is C9H12N4O4S.
What is the molecular weight of ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate?
The molecular weight of ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate is 272.06 g/mol.
Where can I buy ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate?
You can request a quote for ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]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-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.