2-(1,3-Dithian-2-yl)-1-phenylethanol
TL;DR: 2-(1,3-Dithian-2-yl)-1-phenylethanol (CAS 53178-47-5) is a chemical compound with molecular formula C12H16OS2 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithian-2-yl)-1-phenylethanol
Also Known As: 2-(1,3-dithian-2-yl)-1-phenylethanol, 2-(2-hydroxy-2-phenylethyl)-1,3-dithiane, NCI60_005536, 2-([1,3]dithian-2-yl)-1-phenyl-ethanol
| Molecular Formula | C12H16OS2 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.06425 |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 53178-47-5 |
|---|---|
| SMILES | C1CSC(SC1)CC(C2=CC=CC=C2)O |
| InChIKey | DOCOVYUSEWNSAF-UHFFFAOYSA-N |
Product Overview
2-(1,3-Dithian-2-yl)-1-phenylethanol (CAS 53178-47-5), with molecular formula C12H16OS2 and molecular weight 240.06 g/mol. IUPAC: 2-(1,3-dithian-2-yl)-1-phenylethanol.
Chemical Property Profile of 2-(1,3-Dithian-2-yl)-1-phenylethanol
Property Insights of 2-(1,3-Dithian-2-yl)-1-phenylethanol
The XLogP value of 3.0 indicates that 2-(1,3-Dithian-2-yl)-1-phenylethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dithian-2-yl)-1-phenylethanol. Following Lipinski's Rule of Five, 2-(1,3-Dithian-2-yl)-1-phenylethanol has 1 hydrogen bond donor(s) and 3 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 2-(1,3-Dithian-2-yl)-1-phenylethanol?
The CAS number of 2-(1,3-Dithian-2-yl)-1-phenylethanol is 53178-47-5.
What is the molecular formula of 2-(1,3-Dithian-2-yl)-1-phenylethanol?
The molecular formula of 2-(1,3-Dithian-2-yl)-1-phenylethanol is C12H16OS2.
What is the molecular weight of 2-(1,3-Dithian-2-yl)-1-phenylethanol?
The molecular weight of 2-(1,3-Dithian-2-yl)-1-phenylethanol is 240.06 g/mol.
Where can I buy 2-(1,3-Dithian-2-yl)-1-phenylethanol?
You can request a quote for 2-(1,3-Dithian-2-yl)-1-phenylethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithian-2-yl)-1-phenylethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithian-2-yl)-1-phenylethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.