2,3-Dibenzylthiirane
TL;DR: 2,3-Dibenzylthiirane (CAS 666-84-2) is a chemical compound with molecular formula C16H16S and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibenzylthiirane
Also Known As: 2,3-dibenzylthiirane, Thiirane, 2,3-bis(phenylmethyl)-, 1,3-Imidazolidinediacetic acid,2,2-dimethyl-4,5-dioxo-,dimethyl ester
| Molecular Formula | C16H16S |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.09727 |
| Heavy Atoms | 17 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 666-84-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(S2)CC3=CC=CC=C3 |
| InChIKey | GDPAILVWUNEXRY-UHFFFAOYSA-N |
Product Overview
2,3-Dibenzylthiirane (CAS 666-84-2), with molecular formula C16H16S and molecular weight 240.10 g/mol. IUPAC: 2,3-dibenzylthiirane.
Chemical Property Profile of 2,3-Dibenzylthiirane
Property Insights of 2,3-Dibenzylthiirane
The XLogP value of 4.7 indicates that 2,3-Dibenzylthiirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2,3-Dibenzylthiirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibenzylthiirane 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 2,3-Dibenzylthiirane?
The CAS number of 2,3-Dibenzylthiirane is 666-84-2.
What is the molecular formula of 2,3-Dibenzylthiirane?
The molecular formula of 2,3-Dibenzylthiirane is C16H16S.
What is the molecular weight of 2,3-Dibenzylthiirane?
The molecular weight of 2,3-Dibenzylthiirane is 240.10 g/mol.
Where can I buy 2,3-Dibenzylthiirane?
You can request a quote for 2,3-Dibenzylthiirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibenzylthiirane?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibenzylthiirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.