4-Acetylthiobutyronitrile
TL;DR: 4-Acetylthiobutyronitrile (CAS 927871-76-9) is a chemical compound with molecular formula C6H9NOS and molecular weight 143.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(3-cyanopropyl) ethanethioate
Also Known As: 4-Acetylthiobutyronitrile, S-3-cyanopropyl thioacetate, 4-acetylmercaptobutyronitrile, 4-acetylsulfanylbutanenitrile, 4-Mercapto-butyronitrile Acetate
| Molecular Formula | C6H9NOS |
|---|---|
| Molecular Weight | 143.04 g/mol |
| LogP | 1.56988 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.04048 |
| Heavy Atoms | 9 |
| Complexity | 127.50977 |
Chemical Identifiers
| CAS Number | 927871-76-9 |
|---|---|
| SMILES | CC(=O)SCCCC#N |
Product Overview
4-Acetylthiobutyronitrile (CAS 927871-76-9), with molecular formula C6H9NOS and molecular weight 143.04 g/mol. IUPAC: S-(3-cyanopropyl) ethanethioate.
Chemical Property Profile of 4-Acetylthiobutyronitrile
Property Insights of 4-Acetylthiobutyronitrile
The XLogP value of 1.56988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylthiobutyronitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 4-Acetylthiobutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetylthiobutyronitrile 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 4-Acetylthiobutyronitrile?
The CAS number of 4-Acetylthiobutyronitrile is 927871-76-9.
What is the molecular formula of 4-Acetylthiobutyronitrile?
The molecular formula of 4-Acetylthiobutyronitrile is C6H9NOS.
What is the molecular weight of 4-Acetylthiobutyronitrile?
The molecular weight of 4-Acetylthiobutyronitrile is 143.04 g/mol.
Where can I buy 4-Acetylthiobutyronitrile?
You can request a quote for 4-Acetylthiobutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylthiobutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylthiobutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.