3-((2-氰乙基)硫基)丙磺酸
TL;DR: 3-((2-氰乙基)硫基)丙磺酸 (CAS 68957-68-6) is a chemical compound with molecular formula C6H11NO3S2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-((2-氰乙基)硫基)丙磺酸
3-(2-cyanoethylsulfanyl)propane-1-sulfonic acid
Also Known As: 1-propanesulfonic acid, 3-[(2-cyanoethyl)thio]-, 3-((2-Cyanoethyl)thio)propanesulphonic acid, 1-Propanesulfonic acid, 3-((2-cyanoethyl)thio)-, 3-((2-Cyanoethyl)thio)-1-propanesulfonic acid, 3-[(2-cyanoethyl)thio]propanesulphonic acid
| Molecular Formula | C6H11NO3S2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 209.01804 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 68957-68-6 |
|---|---|
| SMILES | C(CSCCC#N)CS(=O)(=O)O |
| InChIKey | GOXFWRFDYIWNJD-UHFFFAOYSA-N |
Product Overview
3-((2-氰乙基)硫基)丙磺酸 (CAS 68957-68-6), with molecular formula C6H11NO3S2 and molecular weight 209.02 g/mol. IUPAC: 3-(2-cyanoethylsulfanyl)propane-1-sulfonic acid.
Chemical Property Profile of 3-((2-氰乙基)硫基)丙磺酸
Property Insights of 3-((2-氰乙基)硫基)丙磺酸
The XLogP value of -0.2 indicates that 3-((2-氰乙基)硫基)丙磺酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-氰乙基)硫基)丙磺酸. Following Lipinski's Rule of Five, 3-((2-氰乙基)硫基)丙磺酸 has 1 hydrogen bond donor(s) and 5 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-氰乙基)硫基)丙磺酸?
The CAS number of 3-((2-氰乙基)硫基)丙磺酸 is 68957-68-6.
What is the molecular formula of 3-((2-氰乙基)硫基)丙磺酸?
The molecular formula of 3-((2-氰乙基)硫基)丙磺酸 is C6H11NO3S2.
What is the molecular weight of 3-((2-氰乙基)硫基)丙磺酸?
The molecular weight of 3-((2-氰乙基)硫基)丙磺酸 is 209.02 g/mol.
Where can I buy 3-((2-氰乙基)硫基)丙磺酸?
You can request a quote for 3-((2-氰乙基)硫基)丙磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-氰乙基)硫基)丙磺酸?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-氰乙基)硫基)丙磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.