![N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide structure](/static/products/5011/501111-68-8.webp)
N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 501111-68-8) is a chemical compound with molecular formula C13H9N3OS2 and molecular weight 287.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide
Also Known As: N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide, AN-329/41572756, N-(3-cyanophenyl)-N'-(thien-2-ylcarbonyl)thiourea, N-(3-Cyanophenyl)-N/'-(thien-2-ylcarbonyl)thiourea, N-{[(3-cyanophenyl)amino]carbonothioyl}-2-thiophenecarboxamide
| Molecular Formula | C13H9N3OS2 |
|---|---|
| Molecular Weight | 287.02 g/mol |
| LogP | 2.74658 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0187 |
| Heavy Atoms | 19 |
| Complexity | 644.15796 |
Chemical Identifiers
| CAS Number | 501111-68-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CS2)C#N |
Product Overview
N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide (CAS 501111-68-8), with molecular formula C13H9N3OS2 and molecular weight 287.02 g/mol. IUPAC: N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide
The XLogP value of 2.74658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide has 2 hydrogen bond donor(s) and 4 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-cyanophenyl)carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide is 501111-68-8.
What is the molecular formula of N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide is C13H9N3OS2.
What is the molecular weight of N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide is 287.02 g/mol.
Where can I buy N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[(3-cyanophenyl)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-cyanophenyl)carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-cyanophenyl)carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.