![Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester structure](/static/products/412/412015-83-9.png)
Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester
TL;DR: Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester (CAS 412015-83-9) is a chemical compound with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzenecarbonothioylsulfanyl)propanoate
Also Known As: starbld0044398, ethyl 2-(benzenecarbonothioylsulfanyl)propanoate, Ethyl 2-(phenylcarbonothioylthio)propionate, ethyl s-thiobenzoyl-2-thiopropionate, Ethyl 2-((phenylcarbonothioyl)thio)propanoate
| Molecular Formula | C12H14O2S2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 3.0469 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.04352 |
| Heavy Atoms | 16 |
| Complexity | 362.54132 |
Chemical Identifiers
| CAS Number | 412015-83-9 |
|---|---|
| SMILES | CCOC(=O)C(C)SC(=S)C1=CC=CC=C1 |
Product Overview
Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester (CAS 412015-83-9), with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol. IUPAC: ethyl 2-(benzenecarbonothioylsulfanyl)propanoate.
Chemical Property Profile of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester
Property Insights of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester
The XLogP value of 3.0469 indicates that Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester?
The CAS number of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester is 412015-83-9.
What is the molecular formula of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester?
The molecular formula of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester is C12H14O2S2.
What is the molecular weight of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester?
The molecular weight of Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester is 254.04 g/mol.
Where can I buy Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester?
You can request a quote for Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-[(phenylthioxomethyl)thio]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.