1,4-Dithiin, 2,3-dihydro-5-phenyl-
TL;DR: 1,4-Dithiin, 2,3-dihydro-5-phenyl- (CAS 35756-26-4) is a chemical compound with molecular formula C10H10S2 and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-2,3-dihydro-1,4-dithiine
Also Known As: 5-Phenyl-2,3-dihydro-1,4-dithiine, 1,4-Dithiin, 2,3-dihydro-5-phenyl-, 2-phenyl-5,6-dihydro-1,4-dithiin, 5,6-Dihydro-2-phenyl-1,4-dithiine, 5,6-Dihydro-2-phenyl-1,4-dithiin
| Molecular Formula | C10H10S2 |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0224 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 35756-26-4 |
|---|---|
| SMILES | C1CSC(=CS1)C2=CC=CC=C2 |
| InChIKey | PXUJCQJEUZSWIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiin, 2,3-dihydro-5-phenyl- (CAS 35756-26-4), with molecular formula C10H10S2 and molecular weight 194.02 g/mol. IUPAC: 5-phenyl-2,3-dihydro-1,4-dithiine.
Chemical Property Profile of 1,4-Dithiin, 2,3-dihydro-5-phenyl-
Property Insights of 1,4-Dithiin, 2,3-dihydro-5-phenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiin, 2,3-dihydro-5-phenyl-. With a topological polar surface area (TPSA) of 50.6 Ų, 1,4-Dithiin, 2,3-dihydro-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dithiin, 2,3-dihydro-5-phenyl- 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 1,4-Dithiin, 2,3-dihydro-5-phenyl-?
The CAS number of 1,4-Dithiin, 2,3-dihydro-5-phenyl- is 35756-26-4.
What is the molecular formula of 1,4-Dithiin, 2,3-dihydro-5-phenyl-?
The molecular formula of 1,4-Dithiin, 2,3-dihydro-5-phenyl- is C10H10S2.
What is the molecular weight of 1,4-Dithiin, 2,3-dihydro-5-phenyl-?
The molecular weight of 1,4-Dithiin, 2,3-dihydro-5-phenyl- is 194.02 g/mol.
Where can I buy 1,4-Dithiin, 2,3-dihydro-5-phenyl-?
You can request a quote for 1,4-Dithiin, 2,3-dihydro-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiin, 2,3-dihydro-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiin, 2,3-dihydro-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.