2-Thiophenecarbothioic acid, S-phenyl ester
TL;DR: 2-Thiophenecarbothioic acid, S-phenyl ester (CAS 28122-95-4) is a chemical compound with molecular formula C11H8OS2 and molecular weight 220.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl thiophene-2-carbothioate
Also Known As: S-Phenyl thiophenethiocarboxylate, S-phenyl thiophene-2-carbothioate, S-phenyl thiofuran-2-carbothioate, 2-Thiophenecarboxylic acid, thio-, S-phenyl ester, 2-Thiophenecarbothioic acid, S-phenyl ester
| Molecular Formula | C11H8OS2 |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | 3.6806 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.00166 |
| Heavy Atoms | 14 |
| Complexity | 406.11728 |
Chemical Identifiers
| CAS Number | 28122-95-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)C2=CC=CS2 |
Product Overview
2-Thiophenecarbothioic acid, S-phenyl ester (CAS 28122-95-4), with molecular formula C11H8OS2 and molecular weight 220.00 g/mol. IUPAC: S-phenyl thiophene-2-carbothioate.
Chemical Property Profile of 2-Thiophenecarbothioic acid, S-phenyl ester
Property Insights of 2-Thiophenecarbothioic acid, S-phenyl ester
The XLogP value of 3.6806 indicates that 2-Thiophenecarbothioic acid, S-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Thiophenecarbothioic acid, S-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarbothioic acid, S-phenyl ester has 0 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 2-Thiophenecarbothioic acid, S-phenyl ester?
The CAS number of 2-Thiophenecarbothioic acid, S-phenyl ester is 28122-95-4.
What is the molecular formula of 2-Thiophenecarbothioic acid, S-phenyl ester?
The molecular formula of 2-Thiophenecarbothioic acid, S-phenyl ester is C11H8OS2.
What is the molecular weight of 2-Thiophenecarbothioic acid, S-phenyl ester?
The molecular weight of 2-Thiophenecarbothioic acid, S-phenyl ester is 220.00 g/mol.
Where can I buy 2-Thiophenecarbothioic acid, S-phenyl ester?
You can request a quote for 2-Thiophenecarbothioic acid, S-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarbothioic acid, S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarbothioic acid, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.