Phenylthiodione
TL;DR: Phenylthiodione (CAS 3571-78-6) is a chemical compound with molecular formula C12H13NO2S and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-6-phenyl-1,3-thiazinane-2,4-dione
Also Known As: Phenylthiodione, Dolitrone, 5-ethyl-6-phenyl-1,3-thiazinane-2,4-dione, 5-ethyl-6-phenyl-[1,3]thiazinane-2,4-dione, 5-Ethyldihydro-6-phenyl-2H-1,4-(3H)-dione
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 3571-78-6 |
|---|---|
| SMILES | CCC1C(SC(=O)NC1=O)C2=CC=CC=C2 |
| InChIKey | BUEHJFXWXOKSPU-UHFFFAOYSA-N |
Product Overview
Phenylthiodione (CAS 3571-78-6), with molecular formula C12H13NO2S and molecular weight 235.07 g/mol. IUPAC: 5-ethyl-6-phenyl-1,3-thiazinane-2,4-dione.
Chemical Property Profile of Phenylthiodione
Property Insights of Phenylthiodione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylthiodione. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylthiodione. Following Lipinski's Rule of Five, Phenylthiodione 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 Phenylthiodione?
The CAS number of Phenylthiodione is 3571-78-6.
What is the molecular formula of Phenylthiodione?
The molecular formula of Phenylthiodione is C12H13NO2S.
What is the molecular weight of Phenylthiodione?
The molecular weight of Phenylthiodione is 235.07 g/mol.
Where can I buy Phenylthiodione?
You can request a quote for Phenylthiodione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylthiodione?
Yes, KEHONG BIO provides custom synthesis services for Phenylthiodione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.