Octahydrodibenzothiophene
TL;DR: Octahydrodibenzothiophene (CAS 15869-74-6) is a chemical compound with molecular formula C12H16S and molecular weight 192.10 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-octahydrodibenzothiophene
Also Known As: Octahydrodibenzothiophene, NCIOpen2_001629, 1,2,3,4,6,7,8,9-octahydrodibenzothiophene, 1,2,3,4,5,6,7,8-Octahydrodibenzothiophene, 1,2,3,4,5,6,7,8-Octahydro-9-thiafluorene
| Molecular Formula | C12H16S |
|---|---|
| Molecular Weight | 192.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.09727 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 15869-74-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)CCCC3 |
| InChIKey | YVGLPSLTCJFUMY-UHFFFAOYSA-N |
Product Overview
Octahydrodibenzothiophene (CAS 15869-74-6), with molecular formula C12H16S and molecular weight 192.10 g/mol. IUPAC: 1,2,3,4,6,7,8,9-octahydrodibenzothiophene.
Chemical Property Profile of Octahydrodibenzothiophene
Property Insights of Octahydrodibenzothiophene
The XLogP value of 4.1 indicates that Octahydrodibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Octahydrodibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydrodibenzothiophene has 0 hydrogen bond donor(s) and 1 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 Octahydrodibenzothiophene?
The CAS number of Octahydrodibenzothiophene is 15869-74-6.
What is the molecular formula of Octahydrodibenzothiophene?
The molecular formula of Octahydrodibenzothiophene is C12H16S.
What is the molecular weight of Octahydrodibenzothiophene?
The molecular weight of Octahydrodibenzothiophene is 192.10 g/mol.
Where can I buy Octahydrodibenzothiophene?
You can request a quote for Octahydrodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydrodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for Octahydrodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.