2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol
TL;DR: 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol (CAS 94527-22-7) is a chemical compound with molecular formula C9H7N3OS2 and molecular weight 237.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-hydroxyphenyl)methylideneamino]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2-hydroxyphenyl)methylene]amino]-, 2-((5-mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol
| Molecular Formula | C9H7N3OS2 |
|---|---|
| Molecular Weight | 237.00 g/mol |
| LogP | 2.65689 |
| Topological Polar Surface Area | 61.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.00305 |
| Heavy Atoms | 15 |
| Complexity | 544.0405 |
Chemical Identifiers
| CAS Number | 94527-22-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=NNC(=S)S2)O |
Product Overview
2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol (CAS 94527-22-7), with molecular formula C9H7N3OS2 and molecular weight 237.00 g/mol. IUPAC: 5-[(2-hydroxyphenyl)methylideneamino]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol
Property Insights of 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol
The XLogP value of 2.65689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol. The TPSA of 61.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol. Following Lipinski's Rule of Five, 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol 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 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol?
The CAS number of 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol is 94527-22-7.
What is the molecular formula of 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol?
The molecular formula of 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol is C9H7N3OS2.
What is the molecular weight of 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol?
The molecular weight of 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol is 237.00 g/mol.
Where can I buy 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol?
You can request a quote for 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Mercapto-1,3,4-thiadiazol-2-ylimino)methyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.