1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-
TL;DR: 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)- (CAS 37489-37-5) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-benzylsulfanyl-1,2,4-triazol-1-yl)methanol
Also Known As: Tetrazolinthion, 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-, 5-(Benzylthio)-1H-1,2,4-triazole-1-methanol, [5-(benzylsulfanyl)-1h-1,2,4-triazol-1-yl]methanol, (5-benzylsulfanyl-1,2,4-triazol-1-yl)methanol
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 37489-37-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=NN2CO |
| InChIKey | XMYSTTTTYXJVDU-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)- (CAS 37489-37-5), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: (5-benzylsulfanyl-1,2,4-triazol-1-yl)methanol.
Chemical Property Profile of 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-
Property Insights of 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)- has 1 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 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-?
The CAS number of 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)- is 37489-37-5.
What is the molecular formula of 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-?
The molecular formula of 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)- is C10H11N3OS.
What is the molecular weight of 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-?
The molecular weight of 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)- is 221.06 g/mol.
Where can I buy 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-?
You can request a quote for 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-1-methanol, 5-(benzylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.