![S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate structure](/static/products/5185/5185-59-1.webp)
S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate
TL;DR: S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate (CAS 5185-59-1) is a chemical compound with molecular formula C15H28N2O4S2 and molecular weight 364.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-amino-4-(sulfosulfanylmethylimino)butoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane
Also Known As: S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate, 2-[4-amino-4-(sulfosulfanylmethylimino)butoxy]-4,7,7-trimethylbicyclo[2.2.1]heptane
| Molecular Formula | C15H28N2O4S2 |
|---|---|
| Molecular Weight | 364.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.14905 |
| Heavy Atoms | 23 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 5185-59-1 |
|---|---|
| SMILES | CC1(C2CCC1(CC2OCCCC(=NCSS(=O)(=O)O)N)C)C |
| InChIKey | BOBZGZSKNCCQSR-UHFFFAOYSA-N |
Product Overview
S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate (CAS 5185-59-1), with molecular formula C15H28N2O4S2 and molecular weight 364.15 g/mol. IUPAC: 3-[4-amino-4-(sulfosulfanylmethylimino)butoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane.
Chemical Property Profile of S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate
Property Insights of S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate. Following Lipinski's Rule of Five, S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate has 2 hydrogen bond donor(s) and 6 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 S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate?
The CAS number of S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate is 5185-59-1.
What is the molecular formula of S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate?
The molecular formula of S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate is C15H28N2O4S2.
What is the molecular weight of S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate?
The molecular weight of S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate is 364.15 g/mol.
Where can I buy S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate?
You can request a quote for S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[({1-Amino-4-[(4,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]butylidene}amino)methyl] hydrogen sulfurothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.