(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol
TL;DR: (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol (CAS 632292-52-5) is a chemical compound with molecular formula C9H10N4OS and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: TimTec1_006185, (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol, 4-amino-3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-5-thione, AO-080/43342606, (4-amino-5-sulfanyl(1,2,4-triazol-3-yl))phenylmethan-1-ol
| Molecular Formula | C9H10N4OS |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 0.73619 |
| Topological Polar Surface Area | 79.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.05753 |
| Heavy Atoms | 15 |
| Complexity | 504.33093 |
Chemical Identifiers
| CAS Number | 632292-52-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=NNC(=S)N2N)O |
Product Overview
(4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol (CAS 632292-52-5), with molecular formula C9H10N4OS and molecular weight 222.06 g/mol. IUPAC: 4-amino-3-[hydroxy(phenyl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol
Property Insights of (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol
The XLogP value of 0.73619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol. The TPSA of 79.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol. Following Lipinski's Rule of Five, (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol has 3 hydrogen bond donor(s) and 4 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 (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol?
The CAS number of (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol is 632292-52-5.
What is the molecular formula of (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol?
The molecular formula of (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol is C9H10N4OS.
What is the molecular weight of (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol?
The molecular weight of (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol is 222.06 g/mol.
Where can I buy (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol?
You can request a quote for (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (4-amino-5-sulfanyl-4H-1,2,4-triazol-3-yl)(phenyl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.