![3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate structure](/static/products/7865/786595-20-8.webp)
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate
TL;DR: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate (CAS 786595-20-8) is a chemical compound with molecular formula C11H10F13NO5S2 and molecular weight 546.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(2-sulfosulfanylethylcarbamoyloxy)octane
Also Known As: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(2-sulfosulfanylethylcarbamoyloxy)octane, 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate, 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfosulfanyl)ethyl]carbamate
| Molecular Formula | C11H10F13NO5S2 |
|---|---|
| Molecular Weight | 546.98 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 546.9793 |
| Heavy Atoms | 32 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 786595-20-8 |
|---|---|
| SMILES | C(COC(=O)NCCSS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | ORDIGWFKXCZFTD-UHFFFAOYSA-N |
Product Overview
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate (CAS 786595-20-8), with molecular formula C11H10F13NO5S2 and molecular weight 546.98 g/mol. IUPAC: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(2-sulfosulfanylethylcarbamoyloxy)octane.
Chemical Property Profile of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate
Property Insights of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate
The XLogP value of 4.1 indicates that 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate. Following Lipinski's Rule of Five, 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate?
The CAS number of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate is 786595-20-8.
What is the molecular formula of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate?
The molecular formula of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate is C11H10F13NO5S2.
What is the molecular weight of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate?
The molecular weight of 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate is 546.98 g/mol.
Where can I buy 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate?
You can request a quote for 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl [2-(sulfothio)ethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.