![[(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid structure](/static/products/4016/401638-68-4.webp)
[(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid
TL;DR: [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid (CAS 401638-68-4) is a chemical compound with molecular formula C4H6N4O2S and molecular weight 174.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid|MixCom6_000329|ChemDiv1_016169|2-((3-Amino-1H-1,2,4-triazol-5-yl)thio)acetic acid|HMS632O21|TOS-BB-1212|CHEMBRDG-BB 5534674|2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|Y-3776|[(3-Amino-1h-1,2,4-triazol-5-yl)thio]aceticacid|SR-01000581630-1|2-(5-amino-4H-1,2,4-triazol-3-ylthio)acetic acid|[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|2-((5-Amino-4H-1,2,4-triazol-3-yl)thio)acetic acid|2-[(3-Amino-1H-1,2,4-triazol-5-yl)thio]acetic Acid|F0918-7154|2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|[(5-AMINO-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETIC ACID|[(5-AMINO-2H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETIC ACID|2-((5-Imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)thio)acetic acid
| Molecular Formula | C4H6N4O2S |
|---|---|
| Molecular Weight | 174.02 g/mol |
| LogP | -0.4364 |
| Topological Polar Surface Area | 104.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.02115 |
| Heavy Atoms | 11 |
| Complexity | 260.34967 |
Chemical Identifiers
| CAS Number | 401638-68-4 |
|---|---|
| SMILES | C(C(=O)O)SC1=NNC(=N1)N |
Product Overview
[(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid (CAS 401638-68-4), with molecular formula C4H6N4O2S and molecular weight 174.02 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid
Property Insights of [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid
The XLogP value of -0.4364 indicates that [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.89 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid has 3 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 [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid?
The CAS number of [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid is 401638-68-4.
What is the molecular formula of [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid?
The molecular formula of [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid is C4H6N4O2S.
What is the molecular weight of [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid?
The molecular weight of [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid is 174.02 g/mol.
Where can I buy [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid?
You can request a quote for [(3-amino-1H-1,2,4-triazol-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 [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-amino-1H-1,2,4-triazol-5-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.