((2,2-二氯乙烯基)硫基)乙酸
TL;DR: ((2,2-二氯乙烯基)硫基)乙酸 (CAS 77922-51-1) is a chemical compound with molecular formula C4H4Cl2O2S and molecular weight 185.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
((2,2-二氯乙烯基)硫基)乙酸
2-(2,2-dichloroethenylsulfanyl)acetic acid
Also Known As: Acetic acid, ((2,2-dichloroethenyl)thio)-, (2,2-dichloro-vinylsulfanyl)acetic acid, 2-(2,2-dichloroethenylsulfanyl)acetic acid, [(2,2-Dichloroethen-1-yl)sulfanyl]acetic acid, RefChem:315876
| Molecular Formula | C4H4Cl2O2S |
|---|---|
| Molecular Weight | 185.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.93091 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 77922-51-1 |
|---|---|
| SMILES | C(C(=O)O)SC=C(Cl)Cl |
| InChIKey | RPZLCAJDJDKTDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((2,2-二氯乙烯基)硫基)乙酸 (CAS 77922-51-1), with molecular formula C4H4Cl2O2S and molecular weight 185.93 g/mol. IUPAC: 2-(2,2-dichloroethenylsulfanyl)acetic acid.
Chemical Property Profile of ((2,2-二氯乙烯基)硫基)乙酸
Property Insights of ((2,2-二氯乙烯基)硫基)乙酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((2,2-二氯乙烯基)硫基)乙酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ((2,2-二氯乙烯基)硫基)乙酸. Following Lipinski's Rule of Five, ((2,2-二氯乙烯基)硫基)乙酸 has 1 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 ((2,2-二氯乙烯基)硫基)乙酸?
The CAS number of ((2,2-二氯乙烯基)硫基)乙酸 is 77922-51-1.
What is the molecular formula of ((2,2-二氯乙烯基)硫基)乙酸?
The molecular formula of ((2,2-二氯乙烯基)硫基)乙酸 is C4H4Cl2O2S.
What is the molecular weight of ((2,2-二氯乙烯基)硫基)乙酸?
The molecular weight of ((2,2-二氯乙烯基)硫基)乙酸 is 185.93 g/mol.
Where can I buy ((2,2-二氯乙烯基)硫基)乙酸?
You can request a quote for ((2,2-二氯乙烯基)硫基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((2,2-二氯乙烯基)硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for ((2,2-二氯乙烯基)硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.