3-Hydroxydibenzothiophene
TL;DR: 3-Hydroxydibenzothiophene (CAS 69747-77-9) is a chemical compound with molecular formula C12H8OS and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzothiophen-3-ol
Also Known As: 3-Hydroxydibenzothiophene, Dibenzothiophene-3-ol, dibenzothiophen-3-ol, Dibenzo[b,d]thiophen-3-ol, Dibenzo[b,d]thiophene-3-ol
| Molecular Formula | C12H8OS |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.02959 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 69747-77-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)O |
| InChIKey | SXNYODKATBMTHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxydibenzothiophene (CAS 69747-77-9), with molecular formula C12H8OS and molecular weight 200.03 g/mol. IUPAC: dibenzothiophen-3-ol.
Chemical Property Profile of 3-Hydroxydibenzothiophene
Property Insights of 3-Hydroxydibenzothiophene
The XLogP value of 4.0 indicates that 3-Hydroxydibenzothiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, 3-Hydroxydibenzothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxydibenzothiophene has 1 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 3-Hydroxydibenzothiophene?
The CAS number of 3-Hydroxydibenzothiophene is 69747-77-9.
What is the molecular formula of 3-Hydroxydibenzothiophene?
The molecular formula of 3-Hydroxydibenzothiophene is C12H8OS.
What is the molecular weight of 3-Hydroxydibenzothiophene?
The molecular weight of 3-Hydroxydibenzothiophene is 200.03 g/mol.
Where can I buy 3-Hydroxydibenzothiophene?
You can request a quote for 3-Hydroxydibenzothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxydibenzothiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxydibenzothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.