![5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol structure](/static/products/3459/345987-96-4.webp)
5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol
TL;DR: 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol (CAS 345987-96-4) is a chemical compound with molecular formula C15H21N3S and molecular weight 275.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-bromoindan-1-one, 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol, 1018AE, 5-(Adamantan-1-yl)-4-allyl-4H-1,2,4-triazole-3-thiol, BAS 10591435
| Molecular Formula | C15H21N3S |
|---|---|
| Molecular Weight | 275.15 g/mol |
| LogP | 3.59449 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.14563 |
| Heavy Atoms | 19 |
| Complexity | 532.90674 |
Chemical Identifiers
| CAS Number | 345987-96-4 |
|---|---|
| SMILES | C=CCN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3 |
Product Overview
5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol (CAS 345987-96-4), with molecular formula C15H21N3S and molecular weight 275.15 g/mol. IUPAC: 3-(1-adamantyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol
Property Insights of 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol
The XLogP value of 3.59449 indicates that 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol has 1 hydrogen bond donor(s) and 2 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 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol?
The CAS number of 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol is 345987-96-4.
What is the molecular formula of 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol?
The molecular formula of 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol is C15H21N3S.
What is the molecular weight of 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol?
The molecular weight of 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol is 275.15 g/mol.
Where can I buy 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol?
You can request a quote for 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Adamantan-1-yl-4-allyl-4H-[1,2,4]triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.