(2-Phenyl-1,3-dithiolan-4-yl)methanol
TL;DR: (2-Phenyl-1,3-dithiolan-4-yl)methanol (CAS 5694-48-4) is a chemical compound with molecular formula C10H12OS2 and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyl-1,3-dithiolan-4-yl)methanol
Also Known As: Dithiolane deriv., (2-phenyl-1,3-dithiolan-4-yl)methanol, 2-phenyl-1,3-dithiolan-4-ylmethanol, 2-phenyl-4-hydroxymethyl-1,3-dithiolane, 4-Hydroxymethyl 2-Phenyl 1,3-Dithiolane
| Molecular Formula | C10H12OS2 |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 70.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.03296 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 5694-48-4 |
|---|---|
| SMILES | C1C(SC(S1)C2=CC=CC=C2)CO |
| InChIKey | DQMFAILGDDQJIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Phenyl-1,3-dithiolan-4-yl)methanol (CAS 5694-48-4), with molecular formula C10H12OS2 and molecular weight 212.03 g/mol. IUPAC: (2-phenyl-1,3-dithiolan-4-yl)methanol.
Chemical Property Profile of (2-Phenyl-1,3-dithiolan-4-yl)methanol
Property Insights of (2-Phenyl-1,3-dithiolan-4-yl)methanol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Phenyl-1,3-dithiolan-4-yl)methanol. The TPSA of 70.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Phenyl-1,3-dithiolan-4-yl)methanol. Following Lipinski's Rule of Five, (2-Phenyl-1,3-dithiolan-4-yl)methanol 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-Phenyl-1,3-dithiolan-4-yl)methanol?
The CAS number of (2-Phenyl-1,3-dithiolan-4-yl)methanol is 5694-48-4.
What is the molecular formula of (2-Phenyl-1,3-dithiolan-4-yl)methanol?
The molecular formula of (2-Phenyl-1,3-dithiolan-4-yl)methanol is C10H12OS2.
What is the molecular weight of (2-Phenyl-1,3-dithiolan-4-yl)methanol?
The molecular weight of (2-Phenyl-1,3-dithiolan-4-yl)methanol is 212.03 g/mol.
Where can I buy (2-Phenyl-1,3-dithiolan-4-yl)methanol?
You can request a quote for (2-Phenyl-1,3-dithiolan-4-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Phenyl-1,3-dithiolan-4-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (2-Phenyl-1,3-dithiolan-4-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.