C16H11N5O3S2
TL;DR: C16H11N5O3S2 (CAS 134895-16-2) is a chemical compound with molecular formula C16H11N5O3S2 and molecular weight 385.03033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(2-hydroxyphenyl)-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)diazenyl]methylidene]amino]benzoic acid
Also Known As: Benzoic acid, 4-((((4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)azo)(2-hydroxyphenyl)methylene)amino)-
Technical Specifications
| Molecular Formula | C16H11N5O3S2 |
| Molecular Weight | 385.03033 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.03033 Da |
| Heavy Atoms | 26 |
| Complexity | 644.0 |
| SMILES | C1=CC=C(C(=C1)C(=NC2=CC=C(C=C2)C(=O)O)N=NC3=NNC(=S)S3)O |
| InChIKey | NUABUSMHVQLVRM-UHFFFAOYSA-N |
Chemical Property Profile of C16H11N5O3S2
Property Insights of C16H11N5O3S2
The XLogP value of 4.0 indicates that C16H11N5O3S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting C16H11N5O3S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H11N5O3S2 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C16H11N5O3S2?
The CAS number of C16H11N5O3S2 is 134895-16-2.
What is the molecular formula of C16H11N5O3S2?
The molecular formula of C16H11N5O3S2 is C16H11N5O3S2.
What is the molecular weight of C16H11N5O3S2?
The molecular weight of C16H11N5O3S2 is 385.03033 g/mol.
Where can I buy C16H11N5O3S2?
You can request a quote for C16H11N5O3S2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H11N5O3S2?
Yes, CoreyChem provides custom synthesis services for C16H11N5O3S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.