Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester
TL;DR: Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester (CAS 105770-08-9) is a chemical compound with molecular formula C12H16O3S2 and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-hexyl furan-2-carbonylsulfanylmethanethioate
Also Known As: Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester, O-hexyl furan-2-carbonylsulfanylmethanethioate, S-(Furan-2-carbonyl) O-hexyl carbonodithioate, 2-Furancarbothioic acid, anhydrosulfide with O-hexyl hydrogen carbonodithioate, RefChem:333381
| Molecular Formula | C12H16O3S2 |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 4.0348 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.05408 |
| Heavy Atoms | 17 |
| Complexity | 346.64252 |
Chemical Identifiers
| CAS Number | 105770-08-9 |
|---|---|
| SMILES | CCCCCCOC(=S)SC(=O)C1=CC=CO1 |
Product Overview
Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester (CAS 105770-08-9), with molecular formula C12H16O3S2 and molecular weight 272.05 g/mol. IUPAC: O-hexyl furan-2-carbonylsulfanylmethanethioate.
Chemical Property Profile of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester
Property Insights of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester
The XLogP value of 4.0348 indicates that Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.44 Ų, Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester has 0 hydrogen bond donor(s) and 5 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 Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester?
The CAS number of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester is 105770-08-9.
What is the molecular formula of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester?
The molecular formula of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester is C12H16O3S2.
What is the molecular weight of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester?
The molecular weight of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester is 272.05 g/mol.
Where can I buy Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester?
You can request a quote for Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.