![1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one structure](/static/products/995/99516-32-2.png)
1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one
TL;DR: 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one (CAS 99516-32-2) is a chemical compound with molecular formula C9H14N2OS and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one
Also Known As: 1-methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one, AE-848/36203052, 1,3-Diazaspiro[4.5]decan-4-one, 1-methyl-2-thioxo-, 1-methyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one, 4-methyl-3-sulfanylidene-2,4-diazaspiro[4.5]decan-1-one
| Molecular Formula | C9H14N2OS |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 1.0358 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.08269 |
| Heavy Atoms | 13 |
| Complexity | 258.3403 |
Chemical Identifiers
| CAS Number | 99516-32-2 |
|---|---|
| SMILES | CN1C(=S)NC(=O)C12CCCCC2 |
Product Overview
1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one (CAS 99516-32-2), with molecular formula C9H14N2OS and molecular weight 198.08 g/mol. IUPAC: 1-methyl-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-one.
Chemical Property Profile of 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one
Property Insights of 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one
The XLogP value of 1.0358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one. With a topological polar surface area (TPSA) of 32.34 Ų, 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one 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 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one?
The CAS number of 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one is 99516-32-2.
What is the molecular formula of 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one?
The molecular formula of 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one is C9H14N2OS.
What is the molecular weight of 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one?
The molecular weight of 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one is 198.08 g/mol.
Where can I buy 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one?
You can request a quote for 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.