![2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione structure](/static/products/430/430448-24-1.png)
2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
TL;DR: 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione (CAS 430448-24-1) is a chemical compound with molecular formula C17H22N4S2 and molecular weight 346.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
Also Known As: ChemDiv3_003748, IDI1_021658, AB00112735-01, 2-(1,3-benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione, 3-(1,3-benzothiazol-2-yl)-7,9,9-trimethyl-1,3,4-triazaspiro[4.5]decane-2-thione
| Molecular Formula | C17H22N4S2 |
|---|---|
| Molecular Weight | 346.13 g/mol |
| LogP | 4.0379 |
| Topological Polar Surface Area | 40.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.1286 |
| Heavy Atoms | 23 |
| Complexity | 735.79407 |
Chemical Identifiers
| CAS Number | 430448-24-1 |
|---|---|
| SMILES | CC1CC(CC2(C1)NC(=S)N(N2)C3=NC4=CC=CC=C4S3)(C)C |
Product Overview
2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione (CAS 430448-24-1), with molecular formula C17H22N4S2 and molecular weight 346.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
Property Insights of 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione
The XLogP value of 4.0379 indicates that 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.19 Ų, 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione has 2 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 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione is 430448-24-1.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione is C17H22N4S2.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione is 346.13 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-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-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-7,7,9-trimethyl-1,2,4-triazaspiro[4.5]decane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.