2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione
TL;DR: 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione (CAS 447455-26-7) is a chemical compound with molecular formula C9H19N3S and molecular weight 201.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-(3-methylbutyl)-1,2,4-triazolidine-3-thione
Also Known As: TimTec1_002993, 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione, 5,5-dimethyl-2-(3-methylbutyl)-1,2,4-triazolidine-3-thione, 2-isopentyl-5,5-dimethyl-1,2,4-triazolane-3-thione, BRD-K43607883-001-01-6
| Molecular Formula | C9H19N3S |
|---|---|
| Molecular Weight | 201.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.12997 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 447455-26-7 |
|---|---|
| SMILES | CC(C)CCN1C(=S)NC(N1)(C)C |
| InChIKey | IKUHADPEOSJJFV-UHFFFAOYSA-N |
Product Overview
2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione (CAS 447455-26-7), with molecular formula C9H19N3S and molecular weight 201.13 g/mol. IUPAC: 5,5-dimethyl-2-(3-methylbutyl)-1,2,4-triazolidine-3-thione.
Chemical Property Profile of 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione
Property Insights of 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione has 2 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 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione?
The CAS number of 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione is 447455-26-7.
What is the molecular formula of 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione?
The molecular formula of 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione is C9H19N3S.
What is the molecular weight of 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione?
The molecular weight of 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione is 201.13 g/mol.
Where can I buy 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione?
You can request a quote for 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopentyl-5,5-dimethyl-1,2,4-triazolidine-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.