Thietan-2-ol
TL;DR: Thietan-2-ol (CAS 50879-06-6) is a chemical compound with molecular formula C3H6OS and molecular weight 90.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thietan-2-ol
Also Known As: Thietan-2-ol, thietanol, 2-Thietanol, RefChem:385064
| Molecular Formula | C3H6OS |
|---|---|
| Molecular Weight | 90.01 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 90.01394 |
| Heavy Atoms | 5 |
| Complexity | 37.0 |
Chemical Identifiers
| CAS Number | 50879-06-6 |
|---|---|
| SMILES | C1CSC1O |
| InChIKey | XNCBIABGXFRJQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thietan-2-ol (CAS 50879-06-6), with molecular formula C3H6OS and molecular weight 90.01 g/mol. IUPAC: thietan-2-ol.
Chemical Property Profile of Thietan-2-ol
Property Insights of Thietan-2-ol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thietan-2-ol. With a topological polar surface area (TPSA) of 45.5 Ų, Thietan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thietan-2-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 Thietan-2-ol?
The CAS number of Thietan-2-ol is 50879-06-6.
What is the molecular formula of Thietan-2-ol?
The molecular formula of Thietan-2-ol is C3H6OS.
What is the molecular weight of Thietan-2-ol?
The molecular weight of Thietan-2-ol is 90.01 g/mol.
Where can I buy Thietan-2-ol?
You can request a quote for Thietan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thietan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for Thietan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.