![[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid structure](/static/products/4650/46505-33-3.webp)
[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
TL;DR: [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid (CAS 46505-33-3) is a chemical compound with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
Also Known As: [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid|CBDivE_001603|2-(1-phenyltetrazol-5-yl)sulfanylacetic acid|IFLab1_004090|2-((1-Phenyl-1H-tetrazol-5-yl)thio)acetic acid|(1-Phenyl-1H-tetrazol-5-ylsulfanyl)-acetic acid|5-hydrazino-1-phenyl-1H-tetrazole|1-phenyl-5-carboxymethylthiotetrazole|4028AE|2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetic acid|BAS 00253325|(1-phenyl-1H-tetrazol-5-ylsulfanyl)acetic acid|(1-Phenyl-1H-tetrazol-5-yl)thioacetic Acid|(1-Phenyl-1H -tetrazol-5-ylsulfanyl)-acetic acid|[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetic acid|(1-PHENYL-1H-TETRAZOL-5-YL)THIO]ACETIC ACID|1-Phenyl-5-[(carboxymethyl)thio]-1H-tetrazole|2-((1-Phenyl-1H-tetrazol-5-yl)thio)aceticacid|(1-phenyl-1 h-tetrazol-5-ylsulfanyl)-acetic acid|AE-848/32010045
| Molecular Formula | C9H8N4O2S |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.0368 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 46505-33-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)O |
| InChIKey | NEXGECQFZDQGBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid (CAS 46505-33-3), with molecular formula C9H8N4O2S and molecular weight 236.04 g/mol. IUPAC: 2-(1-phenyltetrazol-5-yl)sulfanylacetic acid.
Chemical Property Profile of [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
Property Insights of [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 6 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 [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid?
The CAS number of [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid is 46505-33-3.
What is the molecular formula of [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid?
The molecular formula of [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid is C9H8N4O2S.
What is the molecular weight of [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid?
The molecular weight of [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid is 236.04 g/mol.
Where can I buy [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid?
You can request a quote for [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.