N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea
TL;DR: N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea (CAS 121746-07-4) is a chemical compound with molecular formula C15H13N3OS2 and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]benzamide
Also Known As: N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea, AJ-292/40515342, N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]benzamide, N-(3-cyano-4,5-dimethylthiophen-2-ylcarbamothioyl)benzamide
| Molecular Formula | C15H13N3OS2 |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 3.36342 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.05002 |
| Heavy Atoms | 21 |
| Complexity | 729.36725 |
Chemical Identifiers
| CAS Number | 121746-07-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=CC=CC=C2)C |
Product Overview
N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea (CAS 121746-07-4), with molecular formula C15H13N3OS2 and molecular weight 315.05 g/mol. IUPAC: N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]benzamide.
Chemical Property Profile of N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea
Property Insights of N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea
The XLogP value of 3.36342 indicates that N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea. Following Lipinski's Rule of Five, N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea 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-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea?
The CAS number of N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea is 121746-07-4.
What is the molecular formula of N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea?
The molecular formula of N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea is C15H13N3OS2.
What is the molecular weight of N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea?
The molecular weight of N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea is 315.05 g/mol.
Where can I buy N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea?
You can request a quote for N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-(3-cyano-4,5-dimethyl-2-thienyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.