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N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 424813-53-6) is a chemical compound with molecular formula C12H9N3O3S2 and molecular weight 307.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
Also Known As: N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide, 1-(3-NITROPHENYL)-3-(THIOPHENE-2-CARBONYL)THIOUREA
| Molecular Formula | C12H9N3O3S2 |
|---|---|
| Molecular Weight | 307.01 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.00854 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 424813-53-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CS2 |
| InChIKey | GNCCAPYMWBZDRO-UHFFFAOYSA-N |
Product Overview
N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 424813-53-6), with molecular formula C12H9N3O3S2 and molecular weight 307.01 g/mol. IUPAC: N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
The XLogP value of 3.4 indicates that N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.0 Ų indicates high polarity, suggesting N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[(3-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-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is 424813-53-6.
What is the molecular formula of N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is C12H9N3O3S2.
What is the molecular weight of N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide is 307.01 g/mol.
Where can I buy N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[(3-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-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.