1,2,3,4,6,7,8,9-Octahydrothianthrene
TL;DR: 1,2,3,4,6,7,8,9-Octahydrothianthrene (CAS 55030-19-8) is a chemical compound with molecular formula C12H16S2 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,6,7,8,9-octahydrothianthrene
Also Known As: 1,2,3,4,6,7,8,9-Octahydrothianthrene, Thianthrene, 1,2,3,4,6,7,8,9-octahydro-, 1,2,3,4,6,7,8,9-Octahydrothianthrene #, InChI=1/C12H16S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
| Molecular Formula | C12H16S2 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.06934 |
| Heavy Atoms | 14 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 55030-19-8 |
|---|---|
| SMILES | C1CCC2=C(C1)SC3=C(S2)CCCC3 |
| InChIKey | YFUASYLZIXJXLO-UHFFFAOYSA-N |
Product Overview
1,2,3,4,6,7,8,9-Octahydrothianthrene (CAS 55030-19-8), with molecular formula C12H16S2 and molecular weight 224.07 g/mol. IUPAC: 1,2,3,4,6,7,8,9-octahydrothianthrene.
Chemical Property Profile of 1,2,3,4,6,7,8,9-Octahydrothianthrene
Property Insights of 1,2,3,4,6,7,8,9-Octahydrothianthrene
The XLogP value of 3.4 indicates that 1,2,3,4,6,7,8,9-Octahydrothianthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 1,2,3,4,6,7,8,9-Octahydrothianthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,6,7,8,9-Octahydrothianthrene has 0 hydrogen bond donor(s) and 2 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 1,2,3,4,6,7,8,9-Octahydrothianthrene?
The CAS number of 1,2,3,4,6,7,8,9-Octahydrothianthrene is 55030-19-8.
What is the molecular formula of 1,2,3,4,6,7,8,9-Octahydrothianthrene?
The molecular formula of 1,2,3,4,6,7,8,9-Octahydrothianthrene is C12H16S2.
What is the molecular weight of 1,2,3,4,6,7,8,9-Octahydrothianthrene?
The molecular weight of 1,2,3,4,6,7,8,9-Octahydrothianthrene is 224.07 g/mol.
Where can I buy 1,2,3,4,6,7,8,9-Octahydrothianthrene?
You can request a quote for 1,2,3,4,6,7,8,9-Octahydrothianthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,6,7,8,9-Octahydrothianthrene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,6,7,8,9-Octahydrothianthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.