Thiochroman
TL;DR: Thiochroman (CAS 2054-35-5) is a chemical compound with molecular formula C1CC2=CC=CC=C2SC1 and molecular weight 150.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-thiochromene
Also Known As: Thiochroman, Thiochromane, Thiachroman, benzothiane, 3,4-dihydro-2H-thiochromene
| Molecular Formula | C1CC2=CC=CC=C2SC1 |
|---|---|
| Molecular Weight | 150.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.05032 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 2054-35-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2SC1 |
| InChIKey | WPWNEKFMGCWNPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiochroman (CAS 2054-35-5), with molecular formula C1CC2=CC=CC=C2SC1 and molecular weight 150.05 g/mol. IUPAC: 3,4-dihydro-2H-thiochromene.
Chemical Property Profile of Thiochroman
Property Insights of Thiochroman
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiochroman. With a topological polar surface area (TPSA) of 25.3 Ų, Thiochroman exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiochroman 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 Thiochroman?
The CAS number of Thiochroman is 2054-35-5.
What is the molecular formula of Thiochroman?
The molecular formula of Thiochroman is C1CC2=CC=CC=C2SC1.
What is the molecular weight of Thiochroman?
The molecular weight of Thiochroman is 150.05 g/mol.
Where can I buy Thiochroman?
You can request a quote for Thiochroman directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiochroman?
Yes, KEHONG BIO provides custom synthesis services for Thiochroman and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.