![N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide structure](/static/products/6897/689747-52-2.webp)
N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide
TL;DR: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide (CAS 689747-52-2) is a chemical compound with molecular formula C18H12ClN5OS2 and molecular weight 413.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide
Also Known As: AP-970/43274902, N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide, N-[(6-chloro-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide, N-(6-chloro-2-phenyl-2H-1,2,3-benzotriazol-5-yl)-N'-(2-thienylcarbonyl)thiourea, N-[(6-chloro-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]thiophene-2-carboxamide
| Molecular Formula | C18H12ClN5OS2 |
|---|---|
| Molecular Weight | 413.02 g/mol |
| LogP | 4.2622 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.01718 |
| Heavy Atoms | 27 |
| Complexity | 1125.588 |
Chemical Identifiers
| CAS Number | 689747-52-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC=CS4 |
Product Overview
N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide (CAS 689747-52-2), with molecular formula C18H12ClN5OS2 and molecular weight 413.02 g/mol. IUPAC: N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide.
Chemical Property Profile of N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide
Property Insights of N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide
The XLogP value of 4.2622 indicates that N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide. Following Lipinski's Rule of Five, N-[(6-chloro-2-phenylbenzotriazol-5-yl)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-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
The CAS number of N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide is 689747-52-2.
What is the molecular formula of N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
The molecular formula of N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide is C18H12ClN5OS2.
What is the molecular weight of N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
The molecular weight of N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide is 413.02 g/mol.
Where can I buy N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
You can request a quote for N-[(6-chloro-2-phenylbenzotriazol-5-yl)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-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(6-chloro-2-phenylbenzotriazol-5-yl)carbamothioyl]thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.