5-Phenyl-1,3-thiaselenole-2-thione
TL;DR: 5-Phenyl-1,3-thiaselenole-2-thione (CAS 1128-52-5) is a chemical compound with molecular formula C9H6S2Se and molecular weight 257.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-1,3-thiaselenole-2-thione
Also Known As: 5-Phenyl-1,3-thiaselenole-2-thione, 4-phenyl-1,3-selenathiole-2-thione, 5-phenyl-2H-1,3-thiaselenole-2-thione, 1,3-Thiaselenole-2-thione,5-phenyl-, 5-phenyl-1,3-thiaselenolene-2-thione
| Molecular Formula | C9H6S2Se |
|---|---|
| Molecular Weight | 257.91 g/mol |
| LogP | 3.20159 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.90762 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 1128-52-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C[Se]C(=S)S2 |
| InChIKey | XVSXFAQGJAKCBL-UHFFFAOYSA-N |
Product Overview
5-Phenyl-1,3-thiaselenole-2-thione (CAS 1128-52-5), with molecular formula C9H6S2Se and molecular weight 257.91 g/mol. IUPAC: 5-phenyl-1,3-thiaselenole-2-thione.
Chemical Property Profile of 5-Phenyl-1,3-thiaselenole-2-thione
Property Insights of 5-Phenyl-1,3-thiaselenole-2-thione
The XLogP value of 3.20159 indicates that 5-Phenyl-1,3-thiaselenole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, 5-Phenyl-1,3-thiaselenole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-1,3-thiaselenole-2-thione 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 5-Phenyl-1,3-thiaselenole-2-thione?
The CAS number of 5-Phenyl-1,3-thiaselenole-2-thione is 1128-52-5.
What is the molecular formula of 5-Phenyl-1,3-thiaselenole-2-thione?
The molecular formula of 5-Phenyl-1,3-thiaselenole-2-thione is C9H6S2Se.
What is the molecular weight of 5-Phenyl-1,3-thiaselenole-2-thione?
The molecular weight of 5-Phenyl-1,3-thiaselenole-2-thione is 257.91 g/mol.
Where can I buy 5-Phenyl-1,3-thiaselenole-2-thione?
You can request a quote for 5-Phenyl-1,3-thiaselenole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-1,3-thiaselenole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-1,3-thiaselenole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.