![4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid structure](/static/products/201/201611-92-9.png)
4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid
TL;DR: 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid (CAS 201611-92-9) is a chemical compound with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid
Also Known As: 4-Cyano-4-(thiobenzoylthio)pentanoic acid, 4-Cyano-4-((phenylcarbonothioyl)thio)pentanoic acid, 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid, Pentanoic acid, 4-cyano-4-[(phenylthioxomethyl)thio]-, YNKQCPNHMVAWHN-UHFFFAOYSA-
| Molecular Formula | C13H13NO2S2 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 3.24238 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.03876 |
| Heavy Atoms | 18 |
| Complexity | 481.51465 |
Chemical Identifiers
| CAS Number | 201611-92-9 |
|---|---|
| SMILES | CC(CCC(=O)O)(C#N)SC(=S)C1=CC=CC=C1 |
Product Overview
4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid (CAS 201611-92-9), with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol. IUPAC: 4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid.
Chemical Property Profile of 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid
Property Insights of 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid
The XLogP value of 3.24238 indicates that 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid. Following Lipinski's Rule of Five, 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid has 1 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 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid?
The CAS number of 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid is 201611-92-9.
What is the molecular formula of 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid?
The molecular formula of 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid is C13H13NO2S2.
What is the molecular weight of 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid?
The molecular weight of 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid is 279.04 g/mol.
Where can I buy 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid?
You can request a quote for 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-4-[(phenylcarbonothioyl)thio]pentanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.