3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid
TL;DR: 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid (CAS 51452-25-6) is a chemical compound with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfanylthiophene-2-carboxylic acid
Also Known As: 3-tert-butylsulfanylthiophene-2-carboxylic Acid, 3-t-butylmercapto-2-thiophenecarboxylic acid, 3-(tert-butylthio)thiophene-2-carboxylic acid, AB01331993-02, 3-(tert-butylsulfanyl)thiophene-2-carboxylic acid
| Molecular Formula | C9H12O2S2 |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 3.3369 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.02788 |
| Heavy Atoms | 13 |
| Complexity | 309.65976 |
Chemical Identifiers
| CAS Number | 51452-25-6 |
|---|---|
| SMILES | CC(C)(C)SC1=C(SC=C1)C(=O)O |
Product Overview
3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid (CAS 51452-25-6), with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol. IUPAC: 3-tert-butylsulfanylthiophene-2-carboxylic acid.
Chemical Property Profile of 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid
Property Insights of 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid
The XLogP value of 3.3369 indicates that 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid 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 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid?
The CAS number of 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid is 51452-25-6.
What is the molecular formula of 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid?
The molecular formula of 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid is C9H12O2S2.
What is the molecular weight of 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid?
The molecular weight of 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid is 216.03 g/mol.
Where can I buy 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid?
You can request a quote for 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butylsulfanyl)thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.