4-chlorotetrahydro-2H-thiopyran
TL;DR: 4-chlorotetrahydro-2H-thiopyran (CAS 32358-87-5) is a chemical compound with molecular formula C5H9ClS and molecular weight 136.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorothiane
Also Known As: 4-chlorothiane, 4-chloro-tetrahydro-thiopyran, 4-chlorotetrahydro-2H-thiopyran, 2H-thiopyran, 4-chlorotetrahydro-, InChI=1/C5H9ClS/c6-5-1-3-7-4-2-5/h5H,1-4H
| Molecular Formula | C5H9ClS |
|---|---|
| Molecular Weight | 136.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.01135 |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 32358-87-5 |
|---|---|
| SMILES | C1CSCCC1Cl |
| InChIKey | MDXKZPMYXHDPMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-chlorotetrahydro-2H-thiopyran (CAS 32358-87-5), with molecular formula C5H9ClS and molecular weight 136.01 g/mol. IUPAC: 4-chlorothiane.
Chemical Property Profile of 4-chlorotetrahydro-2H-thiopyran
Property Insights of 4-chlorotetrahydro-2H-thiopyran
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chlorotetrahydro-2H-thiopyran. With a topological polar surface area (TPSA) of 25.3 Ų, 4-chlorotetrahydro-2H-thiopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorotetrahydro-2H-thiopyran 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 4-chlorotetrahydro-2H-thiopyran?
The CAS number of 4-chlorotetrahydro-2H-thiopyran is 32358-87-5.
What is the molecular formula of 4-chlorotetrahydro-2H-thiopyran?
The molecular formula of 4-chlorotetrahydro-2H-thiopyran is C5H9ClS.
What is the molecular weight of 4-chlorotetrahydro-2H-thiopyran?
The molecular weight of 4-chlorotetrahydro-2H-thiopyran is 136.01 g/mol.
Where can I buy 4-chlorotetrahydro-2H-thiopyran?
You can request a quote for 4-chlorotetrahydro-2H-thiopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorotetrahydro-2H-thiopyran?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorotetrahydro-2H-thiopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.