![3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one structure](/static/products/2201/220162-67-4.webp)
3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one
TL;DR: 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one (CAS 220162-67-4) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-methylsulfanyl-2-azaspiro[4.5]deca-1,6,9-trien-8-one
Also Known As: ChemDiv2_000688, 3,3-dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one, J1.554.182B, 3,3-dimethyl-1-(methylsulfanyl)-2-azaspiro[4.5]deca-1,6,9-trien-8-one, 2-azaspiro[4.5]deca-1,6,9-trien-8-one, 3,3-dimethyl-1-(methylthio)-
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 220162-67-4 |
|---|---|
| SMILES | CC1(CC2(C=CC(=O)C=C2)C(=N1)SC)C |
| InChIKey | KPVFPILHEWPNLU-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one (CAS 220162-67-4), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: 3,3-dimethyl-1-methylsulfanyl-2-azaspiro[4.5]deca-1,6,9-trien-8-one.
Chemical Property Profile of 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one
Property Insights of 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one. With a topological polar surface area (TPSA) of 54.7 Ų, 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one has 0 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-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one?
The CAS number of 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one is 220162-67-4.
What is the molecular formula of 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one?
The molecular formula of 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one is C12H15NOS.
What is the molecular weight of 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one?
The molecular weight of 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one is 221.09 g/mol.
Where can I buy 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one?
You can request a quote for 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-(methylthio)-2-azaspiro[4.5]deca-1,6,9-trien-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.