6-Chloro-4-thiochromanol
TL;DR: 6-Chloro-4-thiochromanol (CAS 13735-21-2) is a chemical compound with molecular formula C9H9ClOS and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3,4-dihydro-2H-thiochromen-4-ol
Also Known As: 6-chloro-4-thiochromanol, 6-chlorothiochroman-4-ol, 6-chloro-3,4-dihydro-2H-thiochromen-4-ol, 6-chloro-2H,3H,4H-benzo[e]thiin-4-ol, AI-942/13331170
| Molecular Formula | C9H9ClOS |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 2.8692 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.00627 |
| Heavy Atoms | 12 |
| Complexity | 300.58005 |
Chemical Identifiers
| CAS Number | 13735-21-2 |
|---|---|
| SMILES | C1CSC2=C(C1O)C=C(C=C2)Cl |
Product Overview
6-Chloro-4-thiochromanol (CAS 13735-21-2), with molecular formula C9H9ClOS and molecular weight 200.01 g/mol. IUPAC: 6-chloro-3,4-dihydro-2H-thiochromen-4-ol.
Chemical Property Profile of 6-Chloro-4-thiochromanol
Property Insights of 6-Chloro-4-thiochromanol
The XLogP value of 2.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-4-thiochromanol. With a topological polar surface area (TPSA) of 20.23 Ų, 6-Chloro-4-thiochromanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-4-thiochromanol 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 6-Chloro-4-thiochromanol?
The CAS number of 6-Chloro-4-thiochromanol is 13735-21-2.
What is the molecular formula of 6-Chloro-4-thiochromanol?
The molecular formula of 6-Chloro-4-thiochromanol is C9H9ClOS.
What is the molecular weight of 6-Chloro-4-thiochromanol?
The molecular weight of 6-Chloro-4-thiochromanol is 200.01 g/mol.
Where can I buy 6-Chloro-4-thiochromanol?
You can request a quote for 6-Chloro-4-thiochromanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-4-thiochromanol?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-4-thiochromanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.