1,2,3,4,4a,9b-Hexahydrodibenzothiophene
TL;DR: 1,2,3,4,4a,9b-Hexahydrodibenzothiophene (CAS 69076-07-9) is a chemical compound with molecular formula C12H14S and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,4a,9b-hexahydrodibenzothiophene
Also Known As: 1,2,3,4,4a,9b-Hexahydrodibenzothiophene, 1,2,3,4,4A,9B-HEXAHYDRO-DIBENZOTHIOPHENE, Dibenzothiophene, 1,2,3,4,4a,4b-hexahydro, Dibenzothiophene,1,2,3,4,4a,9b-hexahydro-,cis, (4aR,9bR)-1,2,3,4,4a,9b-hexahydrodibenzothiophene
| Molecular Formula | C12H14S |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.08162 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 69076-07-9 |
|---|---|
| SMILES | C1CCC2C(C1)C3=CC=CC=C3S2 |
| InChIKey | VKFAAUDUBPEOMC-UHFFFAOYSA-N |
Product Overview
1,2,3,4,4a,9b-Hexahydrodibenzothiophene (CAS 69076-07-9), with molecular formula C12H14S and molecular weight 190.08 g/mol. IUPAC: 1,2,3,4,4a,9b-hexahydrodibenzothiophene.
Chemical Property Profile of 1,2,3,4,4a,9b-Hexahydrodibenzothiophene
Property Insights of 1,2,3,4,4a,9b-Hexahydrodibenzothiophene
The XLogP value of 3.7 indicates that 1,2,3,4,4a,9b-Hexahydrodibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 1,2,3,4,4a,9b-Hexahydrodibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,4a,9b-Hexahydrodibenzothiophene 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 1,2,3,4,4a,9b-Hexahydrodibenzothiophene?
The CAS number of 1,2,3,4,4a,9b-Hexahydrodibenzothiophene is 69076-07-9.
What is the molecular formula of 1,2,3,4,4a,9b-Hexahydrodibenzothiophene?
The molecular formula of 1,2,3,4,4a,9b-Hexahydrodibenzothiophene is C12H14S.
What is the molecular weight of 1,2,3,4,4a,9b-Hexahydrodibenzothiophene?
The molecular weight of 1,2,3,4,4a,9b-Hexahydrodibenzothiophene is 190.08 g/mol.
Where can I buy 1,2,3,4,4a,9b-Hexahydrodibenzothiophene?
You can request a quote for 1,2,3,4,4a,9b-Hexahydrodibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,4a,9b-Hexahydrodibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,4a,9b-Hexahydrodibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.