Thiochroman-4-ol
TL;DR: Thiochroman-4-ol (CAS 40540-71-4) is a chemical compound with molecular formula C9H10OS and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-thiochromen-4-ol
Also Known As: Thiochroman-4-ol, 4-Thiochromanol, 3,4-Dihydro-2H-1-benzothiopyran-4-ol, 4-Thiochromanol #, 4-hydroxy-thiochroman
| Molecular Formula | C9H10OS |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.04524 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 40540-71-4 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2C1O |
| InChIKey | FWVSZXYNCFXKRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiochroman-4-ol (CAS 40540-71-4), with molecular formula C9H10OS and molecular weight 166.05 g/mol. IUPAC: 3,4-dihydro-2H-thiochromen-4-ol.
Chemical Property Profile of Thiochroman-4-ol
Property Insights of Thiochroman-4-ol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiochroman-4-ol. With a topological polar surface area (TPSA) of 45.5 Ų, Thiochroman-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiochroman-4-ol 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 Thiochroman-4-ol?
The CAS number of Thiochroman-4-ol is 40540-71-4.
What is the molecular formula of Thiochroman-4-ol?
The molecular formula of Thiochroman-4-ol is C9H10OS.
What is the molecular weight of Thiochroman-4-ol?
The molecular weight of Thiochroman-4-ol is 166.05 g/mol.
Where can I buy Thiochroman-4-ol?
You can request a quote for Thiochroman-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiochroman-4-ol?
Yes, KEHONG BIO provides custom synthesis services for Thiochroman-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.