![3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 structure](/static/products/6708/67086-84-4.webp)
3-{[2-(2-氰乙氧基)乙基]硫基}丙腈
TL;DR: 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 (CAS 67086-84-4) is a chemical compound with molecular formula C8H12N2OS and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-{[2-(2-氰乙氧基)乙基]硫基}丙腈
3-[2-(2-cyanoethylsulfanyl)ethoxy]propanenitrile
Also Known As: 4-Oxa-7-thia-decandinitril, 4-Oxa-7-thiadecanedinitrile, 3-{[2-(2-cyanoethoxy)ethyl]sulfanyl}propanenitrile, 3-[2-(2-cyanoethylsulfanyl)ethoxy]propanenitrile, 3-[2-[(2-CYANOETHYL)THIO]ETHOXY]PROPIONITRILE
| Molecular Formula | C8H12N2OS |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.06703 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 67086-84-4 |
|---|---|
| SMILES | C(COCCSCCC#N)C#N |
| InChIKey | CTMLAYSMVIDZBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 (CAS 67086-84-4), with molecular formula C8H12N2OS and molecular weight 184.07 g/mol. IUPAC: 3-[2-(2-cyanoethylsulfanyl)ethoxy]propanenitrile.
Chemical Property Profile of 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈
Property Insights of 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈. Following Lipinski's Rule of Five, 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 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 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈?
The CAS number of 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 is 67086-84-4.
What is the molecular formula of 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈?
The molecular formula of 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 is C8H12N2OS.
What is the molecular weight of 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈?
The molecular weight of 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 is 184.07 g/mol.
Where can I buy 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈?
You can request a quote for 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(2-氰乙氧基)乙基]硫基}丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.