1-Phenylethyl benzodithioate
TL;DR: 1-Phenylethyl benzodithioate (CAS 37912-25-7) is a chemical compound with molecular formula C15H14S2 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethyl benzenecarbodithioate
Also Known As: 1-phenylethyl benzodithioate, 2-Phenylethylbenzodithiolate, 1-phenylethyl dithiobenzoate, 1-PHENYLETHYL BENZENECARBODITHIOATE, alpha-Methylbenzyl dithiobenzoate
| Molecular Formula | C15H14S2 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 4.8565 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.05368 |
| Heavy Atoms | 17 |
| Complexity | 476.7897 |
Chemical Identifiers
| CAS Number | 37912-25-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)SC(=S)C2=CC=CC=C2 |
Product Overview
1-Phenylethyl benzodithioate (CAS 37912-25-7), with molecular formula C15H14S2 and molecular weight 258.05 g/mol. IUPAC: 1-phenylethyl benzenecarbodithioate.
Chemical Property Profile of 1-Phenylethyl benzodithioate
Property Insights of 1-Phenylethyl benzodithioate
The XLogP value of 4.8565 indicates that 1-Phenylethyl benzodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Phenylethyl benzodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethyl benzodithioate 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-Phenylethyl benzodithioate?
The CAS number of 1-Phenylethyl benzodithioate is 37912-25-7.
What is the molecular formula of 1-Phenylethyl benzodithioate?
The molecular formula of 1-Phenylethyl benzodithioate is C15H14S2.
What is the molecular weight of 1-Phenylethyl benzodithioate?
The molecular weight of 1-Phenylethyl benzodithioate is 258.05 g/mol.
Where can I buy 1-Phenylethyl benzodithioate?
You can request a quote for 1-Phenylethyl benzodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethyl benzodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethyl benzodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.