噻喃
TL;DR: 噻喃 (CAS 60475-00-5) is a chemical compound with molecular formula C5H6S and molecular weight 98.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噻喃
2H-thiopyran
Also Known As: Thiopyran, 2H-thiopyran, hydrothiopyran, thiine, thiopyrane
| Molecular Formula | C5H6S |
|---|---|
| Molecular Weight | 98.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 98.01902 |
| Heavy Atoms | 6 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 60475-00-5 |
|---|---|
| SMILES | C1C=CC=CS1 |
| InChIKey | QMDFJHAAWUGVKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
噻喃 (CAS 60475-00-5), with molecular formula C5H6S and molecular weight 98.02 g/mol. IUPAC: 2H-thiopyran.
Chemical Property Profile of 噻喃
Property Insights of 噻喃
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 噻喃. With a topological polar surface area (TPSA) of 25.3 Ų, 噻喃 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 噻喃 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 噻喃?
The CAS number of 噻喃 is 60475-00-5.
What is the molecular formula of 噻喃?
The molecular formula of 噻喃 is C5H6S.
What is the molecular weight of 噻喃?
The molecular weight of 噻喃 is 98.02 g/mol.
Where can I buy 噻喃?
You can request a quote for 噻喃 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噻喃?
Yes, KEHONG BIO provides custom synthesis services for 噻喃 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.