3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol
TL;DR: 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol (CAS 664308-50-3) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxypropyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol, 4-(3-hydroxypropyl)-3-phenyl-1H-1,2,4-triazole-5-thione, 3-(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)propan-1-ol, 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)propan-1-ol, 4-(3-hydroxypropyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.99009 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 503.44827 |
Chemical Identifiers
| CAS Number | 664308-50-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2CCCO |
Product Overview
3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol (CAS 664308-50-3), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 4-(3-hydroxypropyl)-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol
Property Insights of 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol
The XLogP value of 1.99009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol. With a topological polar surface area (TPSA) of 53.84 Ų, 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol has 2 hydrogen bond donor(s) and 3 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-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol?
The CAS number of 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol is 664308-50-3.
What is the molecular formula of 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol?
The molecular formula of 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol is C11H13N3OS.
What is the molecular weight of 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol?
The molecular weight of 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol is 235.08 g/mol.
Where can I buy 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol?
You can request a quote for 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.