Tetrahydro-2H-thiopyran 1-oxide
TL;DR: Tetrahydro-2H-thiopyran 1-oxide (CAS 4988-34-5) is a chemical compound with molecular formula C5H10OS and molecular weight 118.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiane 1-oxide
Also Known As: Thiane 1-oxide, Tetrahydro-2H-thiopyran 1-oxide, Thiane oxide, Pentamethylene sulfoxide, tetrahydrothiopyrone
| Molecular Formula | C5H10OS |
|---|---|
| Molecular Weight | 118.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 118.045235 |
| Heavy Atoms | 7 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 4988-34-5 |
|---|---|
| SMILES | C1CCS(=O)CC1 |
| InChIKey | NNLBRYQGMOYARS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydro-2H-thiopyran 1-oxide (CAS 4988-34-5), with molecular formula C5H10OS and molecular weight 118.05 g/mol. IUPAC: thiane 1-oxide.
Chemical Property Profile of Tetrahydro-2H-thiopyran 1-oxide
Property Insights of Tetrahydro-2H-thiopyran 1-oxide
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydro-2H-thiopyran 1-oxide. With a topological polar surface area (TPSA) of 36.3 Ų, Tetrahydro-2H-thiopyran 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydro-2H-thiopyran 1-oxide has 0 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 Tetrahydro-2H-thiopyran 1-oxide?
The CAS number of Tetrahydro-2H-thiopyran 1-oxide is 4988-34-5.
What is the molecular formula of Tetrahydro-2H-thiopyran 1-oxide?
The molecular formula of Tetrahydro-2H-thiopyran 1-oxide is C5H10OS.
What is the molecular weight of Tetrahydro-2H-thiopyran 1-oxide?
The molecular weight of Tetrahydro-2H-thiopyran 1-oxide is 118.05 g/mol.
Where can I buy Tetrahydro-2H-thiopyran 1-oxide?
You can request a quote for Tetrahydro-2H-thiopyran 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydro-2H-thiopyran 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-2H-thiopyran 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.