![S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate structure](/static/products/7934/79340-22-0.webp)
S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate
TL;DR: S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate (CAS 79340-22-0) is a chemical compound with molecular formula C10H9N3O5S and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate
Also Known As: S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate, S-Methyl [(4-nitrobenzoyl)carbamoyl]carbamothioate, S-Methyl [(4-nitrobenzoyl)amino]carbonylthiocarbamate, S-Methyl [(4-nitrobenzoyl)amino]carbonylthiocarbamate #, Carbamothioic acid, [[(4-nitrobenzoyl)amino]carbonyl]-, S-methyl ester
| Molecular Formula | C10H9N3O5S |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0263 |
| Heavy Atoms | 19 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 79340-22-0 |
|---|---|
| SMILES | CSC(=O)NC(=O)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | VFNGCFRCBMBUHE-UHFFFAOYSA-N |
Product Overview
S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate (CAS 79340-22-0), with molecular formula C10H9N3O5S and molecular weight 283.03 g/mol. IUPAC: S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate.
Chemical Property Profile of S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate
Property Insights of S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate. The TPSA of 146.0 Ų indicates high polarity, suggesting S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate has 2 hydrogen bond donor(s) and 6 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 S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate?
The CAS number of S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate is 79340-22-0.
What is the molecular formula of S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate?
The molecular formula of S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate is C10H9N3O5S.
What is the molecular weight of S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate?
The molecular weight of S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate is 283.03 g/mol.
Where can I buy S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate?
You can request a quote for S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl N-[(4-nitrobenzoyl)carbamoyl]carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.