2-Butoxycarbothioylsulfanylacetic acid
TL;DR: 2-Butoxycarbothioylsulfanylacetic acid (CAS 4092-76-6) is a chemical compound with molecular formula C7H12O3S2 and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxycarbothioylsulfanylacetic acid
Also Known As: 2-butoxycarbothioylsulfanylacetic Acid, [(butoxycarbothioyl)sulfanyl]acetic acid, [Butyloxy-thiocarbonylmercapto]-essigsaeure
| Molecular Formula | C7H12O3S2 |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.02278 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 4092-76-6 |
|---|---|
| SMILES | CCCCOC(=S)SCC(=O)O |
| InChIKey | BRLMILCMHSUEOL-UHFFFAOYSA-N |
Product Overview
2-Butoxycarbothioylsulfanylacetic acid (CAS 4092-76-6), with molecular formula C7H12O3S2 and molecular weight 208.02 g/mol. IUPAC: 2-butoxycarbothioylsulfanylacetic acid.
Chemical Property Profile of 2-Butoxycarbothioylsulfanylacetic acid
Property Insights of 2-Butoxycarbothioylsulfanylacetic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butoxycarbothioylsulfanylacetic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butoxycarbothioylsulfanylacetic acid. Following Lipinski's Rule of Five, 2-Butoxycarbothioylsulfanylacetic acid has 1 hydrogen bond donor(s) and 5 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-Butoxycarbothioylsulfanylacetic acid?
The CAS number of 2-Butoxycarbothioylsulfanylacetic acid is 4092-76-6.
What is the molecular formula of 2-Butoxycarbothioylsulfanylacetic acid?
The molecular formula of 2-Butoxycarbothioylsulfanylacetic acid is C7H12O3S2.
What is the molecular weight of 2-Butoxycarbothioylsulfanylacetic acid?
The molecular weight of 2-Butoxycarbothioylsulfanylacetic acid is 208.02 g/mol.
Where can I buy 2-Butoxycarbothioylsulfanylacetic acid?
You can request a quote for 2-Butoxycarbothioylsulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butoxycarbothioylsulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Butoxycarbothioylsulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.