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2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile
TL;DR: 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile (CAS 33050-20-3) is a chemical compound with molecular formula C11H14N2OS2 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile
Also Known As: Maybridge3_001037, IDI1_012424, J1.415.251B, 10-methylsulfanyl-8-oxo-11-thia-7-azaspiro[5.5]undec-9-ene-9-carbonitrile, 2-(methylsulfanyl)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile
| Molecular Formula | C11H14N2OS2 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 2.60798 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.05475 |
| Heavy Atoms | 16 |
| Complexity | 377.93604 |
Chemical Identifiers
| CAS Number | 33050-20-3 |
|---|---|
| SMILES | CSC1=C(C(=O)NC2(S1)CCCCC2)C#N |
Product Overview
2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile (CAS 33050-20-3), with molecular formula C11H14N2OS2 and molecular weight 254.05 g/mol. IUPAC: 2-methylsulfanyl-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile.
Chemical Property Profile of 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile
Property Insights of 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile
The XLogP value of 2.60798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile has 1 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-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile?
The CAS number of 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile is 33050-20-3.
What is the molecular formula of 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile?
The molecular formula of 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile is C11H14N2OS2.
What is the molecular weight of 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile?
The molecular weight of 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile is 254.05 g/mol.
Where can I buy 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile?
You can request a quote for 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-4-oxo-1-thia-5-azaspiro[5.5]undec-2-ene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.