pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt
TL;DR: pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt (CAS 63886-22-6) is a chemical compound with molecular formula C11H21NO3S2 and molecular weight 279.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(sulfosulfanylmethyl)cyclohexyl]pyrrolidine
Also Known As: 1-(1-Pyrrolidinocyclohexyl)methyl thiosulfuric acid, 1-[1-(sulfosulfanylmethyl)cyclohexyl]pyrrolidine, Pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, Inner salt, Thiosulfuric acid, S-(1-(pyrrolidinyl)cyclohexyl)methyl ester, S-{[1-(Pyrrolidin-1-yl)cyclohexyl]methyl} hydrogen sulfurothioate
| Molecular Formula | C11H21NO3S2 |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 2.3211 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.09628 |
| Heavy Atoms | 17 |
| Complexity | 343.72806 |
Chemical Identifiers
| CAS Number | 63886-22-6 |
|---|---|
| SMILES | C1CCC(CC1)(CSS(=O)(=O)O)N2CCCC2 |
Product Overview
pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt (CAS 63886-22-6), with molecular formula C11H21NO3S2 and molecular weight 279.10 g/mol. IUPAC: 1-[1-(sulfosulfanylmethyl)cyclohexyl]pyrrolidine.
Chemical Property Profile of pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt
Property Insights of pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt
The XLogP value of 2.3211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt. With a topological polar surface area (TPSA) of 57.61 Ų, pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt 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 pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt?
The CAS number of pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt is 63886-22-6.
What is the molecular formula of pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt?
The molecular formula of pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt is C11H21NO3S2.
What is the molecular weight of pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt?
The molecular weight of pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt is 279.10 g/mol.
Where can I buy pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt?
You can request a quote for pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt?
Yes, KEHONG BIO provides custom synthesis services for pyrrolidinium, 1-(1-(sulfothiomethyl)cyclohexyl)-, hydroxide, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.