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3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one
TL;DR: 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one (CAS 16992-41-9) is a chemical compound with molecular formula C8H13N3OS and molecular weight 199.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one
Also Known As: 3-sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one, 9-sulfanylidene-8,10,11-triazaspiro[5.5]undecan-7-one, 1,2,4-Triazaspiro[5.5]undec-2-em-5-one, 3-mercapto-, 3-Sulfanyl-1,2,4-triazaspiro[5.5]undec-2-en-5-one #
| Molecular Formula | C8H13N3OS |
|---|---|
| Molecular Weight | 199.08 g/mol |
| LogP | 0.1982 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.07793 |
| Heavy Atoms | 13 |
| Complexity | 247.7737 |
Chemical Identifiers
| CAS Number | 16992-41-9 |
|---|---|
| SMILES | C1CCC2(CC1)C(=O)NC(=S)NN2 |
Product Overview
3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one (CAS 16992-41-9), with molecular formula C8H13N3OS and molecular weight 199.08 g/mol. IUPAC: 3-sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one.
Chemical Property Profile of 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one
Property Insights of 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one
The XLogP value of 0.1982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one. With a topological polar surface area (TPSA) of 53.16 Ų, 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one has 3 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-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one?
The CAS number of 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one is 16992-41-9.
What is the molecular formula of 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one?
The molecular formula of 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one is C8H13N3OS.
What is the molecular weight of 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one?
The molecular weight of 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one is 199.08 g/mol.
Where can I buy 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one?
You can request a quote for 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Sulfanylidene-1,2,4-triazaspiro[5.5]undecan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.