![3-[(4-Chlorobenzyl)thio]propanenitrile structure](/static/products/2531/253122-97-3.webp)
3-[(4-Chlorobenzyl)thio]propanenitrile
TL;DR: 3-[(4-Chlorobenzyl)thio]propanenitrile (CAS 253122-97-3) is a chemical compound with molecular formula C10H10ClNS and molecular weight 211.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]propanenitrile
Also Known As: 3-[(4-chlorobenzyl)thio]propanenitrile, 2-iodo-6-methoxybenzaldehyde, 3-[ THIO]PROPANENITRILE, 3-[(4-chlorophenyl)methylsulfanyl]propanenitrile, Propanenitrile,3-[[(4-chlorophenyl)methyl]thio]-
| Molecular Formula | C10H10ClNS |
|---|---|
| Molecular Weight | 211.02 g/mol |
| LogP | 3.48688 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.02225 |
| Heavy Atoms | 13 |
| Complexity | 288.7882 |
Chemical Identifiers
| CAS Number | 253122-97-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCCC#N)Cl |
Product Overview
3-[(4-Chlorobenzyl)thio]propanenitrile (CAS 253122-97-3), with molecular formula C10H10ClNS and molecular weight 211.02 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]propanenitrile.
Chemical Property Profile of 3-[(4-Chlorobenzyl)thio]propanenitrile
Property Insights of 3-[(4-Chlorobenzyl)thio]propanenitrile
The XLogP value of 3.48688 indicates that 3-[(4-Chlorobenzyl)thio]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-[(4-Chlorobenzyl)thio]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorobenzyl)thio]propanenitrile has 0 hydrogen bond donor(s) and 2 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-[(4-Chlorobenzyl)thio]propanenitrile?
The CAS number of 3-[(4-Chlorobenzyl)thio]propanenitrile is 253122-97-3.
What is the molecular formula of 3-[(4-Chlorobenzyl)thio]propanenitrile?
The molecular formula of 3-[(4-Chlorobenzyl)thio]propanenitrile is C10H10ClNS.
What is the molecular weight of 3-[(4-Chlorobenzyl)thio]propanenitrile?
The molecular weight of 3-[(4-Chlorobenzyl)thio]propanenitrile is 211.02 g/mol.
Where can I buy 3-[(4-Chlorobenzyl)thio]propanenitrile?
You can request a quote for 3-[(4-Chlorobenzyl)thio]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorobenzyl)thio]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorobenzyl)thio]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.