RefChem:325551
TL;DR: RefChem:325551 (CAS 116854-87-6) is a chemical compound with molecular formula C21H19N5O2S3 and molecular weight 469.0701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methylphenyl)thiourea
Also Known As: Benzenesulfonic acid, 4-((((2-methylphenyl)amino)thioxomethyl)amino)-, 2-(2-benzothiazolyl)hydrazide, 1-[4-[(benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methylphenyl)thiourea, 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(2-methylphenyl)thiourea, N-{4-[2-(1,3-Benzothiazol-2-yl)hydrazine-1-sulfonyl]phenyl}-N'-(2-methylphenyl)thiourea
Technical Specifications
| Molecular Formula | C21H19N5O2S3 |
| Molecular Weight | 469.0701 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.0701 Da |
| Heavy Atoms | 31 |
| Complexity | 708.0 |
| SMILES | CC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NNC3=NC4=CC=CC=C4S3 |
| InChIKey | ALUYXZZOSKDWKO-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:325551
Property Insights of RefChem:325551
The XLogP value of 5.1 indicates that RefChem:325551 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:325551 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:325551 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:325551?
The CAS number of RefChem:325551 is 116854-87-6.
What is the molecular formula of RefChem:325551?
The molecular formula of RefChem:325551 is C21H19N5O2S3.
What is the molecular weight of RefChem:325551?
The molecular weight of RefChem:325551 is 469.0701 g/mol.
Where can I buy RefChem:325551?
You can request a quote for RefChem:325551 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:325551?
Yes, CoreyChem provides custom synthesis services for RefChem:325551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.