![N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide structure](/static/products/6429/642956-71-6.webp)
N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 642956-71-6) is a chemical compound with molecular formula C13H11N3O3S2 and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
Also Known As: N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide, N-((2-methyl-5-nitrophenyl)carbamothioyl)thiophene-2-carboxamide, N-(2-METHYL-5-NITROPHENYL)-N'-(2-THIENYLCARBONYL)THIOUREA, N-{[(2-methyl-5-nitrophenyl)amino]carbonothioyl}-2-thiophenecarboxamide
| Molecular Formula | C13H11N3O3S2 |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | 3.09152 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.02417 |
| Heavy Atoms | 21 |
| Complexity | 698.69196 |
Chemical Identifiers
| CAS Number | 642956-71-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CS2 |
Product Overview
N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 642956-71-6), with molecular formula C13H11N3O3S2 and molecular weight 321.02 g/mol. IUPAC: N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
The XLogP value of 3.09152 indicates that N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide 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 N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is 642956-71-6.
What is the molecular formula of N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is C13H11N3O3S2.
What is the molecular weight of N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is 321.02 g/mol.
Where can I buy N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-methyl-5-nitrophenyl)carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.