![N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide structure](/static/products/3473/347338-11-8.webp)
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide
TL;DR: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide (CAS 347338-11-8) is a chemical compound with molecular formula C21H13ClN4O3S2 and molecular weight 468.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide
Also Known As: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide, N-{[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl}-4-nitrobenzamide, 1-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3-(4-nitrobenzoyl)thiourea, N-[(5-benzothiazol-2-yl-2-chloro-phenyl)thiocarbamoyl]-4-nitro-benzamide
| Molecular Formula | C21H13ClN4O3S2 |
|---|---|
| Molecular Weight | 468.01 g/mol |
| LogP | 5.6517 |
| Topological Polar Surface Area | 97.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.01175 |
| Heavy Atoms | 31 |
| Complexity | 1288.9664 |
Chemical Identifiers
| CAS Number | 347338-11-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide (CAS 347338-11-8), with molecular formula C21H13ClN4O3S2 and molecular weight 468.01 g/mol. IUPAC: N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide
Property Insights of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide
The XLogP value of 5.6517 indicates that N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide is 347338-11-8.
What is the molecular formula of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide is C21H13ClN4O3S2.
What is the molecular weight of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide is 468.01 g/mol.
Where can I buy N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.