Methyl (2-amino-5-nitroanilino)carbothioylcarbamate
TL;DR: Methyl (2-amino-5-nitroanilino)carbothioylcarbamate (CAS 38981-02-1) is a chemical compound with molecular formula C9H10N4O4S and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(2-amino-5-nitrophenyl)carbamothioyl]carbamate
Also Known As: Methyl (2-amino-5-nitroanilino)carbothioylcarbamate, methyl N-[(2-amino-5-nitrophenyl)carbamothioyl]carbamate, Methyl N-[(2-amino-5-nitro-phenyl)thiocarbamoyl]carbamate, METHYL-(2-AMINO-5-NITROANILINO)CARBOTHIOYL CARBAMATE
| Molecular Formula | C9H10N4O4S |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 1.2298 |
| Topological Polar Surface Area | 119.52 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.04227 |
| Heavy Atoms | 18 |
| Complexity | 505.34103 |
Chemical Identifiers
| CAS Number | 38981-02-1 |
|---|---|
| SMILES | COC(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])N |
Product Overview
Methyl (2-amino-5-nitroanilino)carbothioylcarbamate (CAS 38981-02-1), with molecular formula C9H10N4O4S and molecular weight 270.04 g/mol. IUPAC: methyl N-[(2-amino-5-nitrophenyl)carbamothioyl]carbamate.
Chemical Property Profile of Methyl (2-amino-5-nitroanilino)carbothioylcarbamate
Property Insights of Methyl (2-amino-5-nitroanilino)carbothioylcarbamate
The XLogP value of 1.2298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2-amino-5-nitroanilino)carbothioylcarbamate. The TPSA of 119.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2-amino-5-nitroanilino)carbothioylcarbamate. Following Lipinski's Rule of Five, Methyl (2-amino-5-nitroanilino)carbothioylcarbamate has 3 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 Methyl (2-amino-5-nitroanilino)carbothioylcarbamate?
The CAS number of Methyl (2-amino-5-nitroanilino)carbothioylcarbamate is 38981-02-1.
What is the molecular formula of Methyl (2-amino-5-nitroanilino)carbothioylcarbamate?
The molecular formula of Methyl (2-amino-5-nitroanilino)carbothioylcarbamate is C9H10N4O4S.
What is the molecular weight of Methyl (2-amino-5-nitroanilino)carbothioylcarbamate?
The molecular weight of Methyl (2-amino-5-nitroanilino)carbothioylcarbamate is 270.04 g/mol.
Where can I buy Methyl (2-amino-5-nitroanilino)carbothioylcarbamate?
You can request a quote for Methyl (2-amino-5-nitroanilino)carbothioylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2-amino-5-nitroanilino)carbothioylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2-amino-5-nitroanilino)carbothioylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.