(((二乙氨基)硫代羰基)硫基)乙酸
TL;DR: (((二乙氨基)硫代羰基)硫基)乙酸 (CAS 5439-93-0) is a chemical compound with molecular formula C7H13NO2S2 and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(((二乙氨基)硫代羰基)硫基)乙酸
2-(diethylcarbamothioylsulfanyl)acetic acid
Also Known As: 2-(diethylcarbamothioylsulfanyl)acetic acid, (((Diethylamino)thioxomethyl)thio)acetic acid, 2-((diethylcarbamothioyl)thio)acetic acid, [(diethylcarbamothioyl)sulfanyl]acetic acid, [[ thioxomethyl]thio]aceticacid
| Molecular Formula | C7H13NO2S2 |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.03877 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 5439-93-0 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)O |
| InChIKey | JLMPJCQRACBHOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(((二乙氨基)硫代羰基)硫基)乙酸 (CAS 5439-93-0), with molecular formula C7H13NO2S2 and molecular weight 207.04 g/mol. IUPAC: 2-(diethylcarbamothioylsulfanyl)acetic acid.
Chemical Property Profile of (((二乙氨基)硫代羰基)硫基)乙酸
Property Insights of (((二乙氨基)硫代羰基)硫基)乙酸
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((二乙氨基)硫代羰基)硫基)乙酸. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (((二乙氨基)硫代羰基)硫基)乙酸. Following Lipinski's Rule of Five, (((二乙氨基)硫代羰基)硫基)乙酸 has 1 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 (((二乙氨基)硫代羰基)硫基)乙酸?
The CAS number of (((二乙氨基)硫代羰基)硫基)乙酸 is 5439-93-0.
What is the molecular formula of (((二乙氨基)硫代羰基)硫基)乙酸?
The molecular formula of (((二乙氨基)硫代羰基)硫基)乙酸 is C7H13NO2S2.
What is the molecular weight of (((二乙氨基)硫代羰基)硫基)乙酸?
The molecular weight of (((二乙氨基)硫代羰基)硫基)乙酸 is 207.04 g/mol.
Where can I buy (((二乙氨基)硫代羰基)硫基)乙酸?
You can request a quote for (((二乙氨基)硫代羰基)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 (((二乙氨基)硫代羰基)硫基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for (((二乙氨基)硫代羰基)硫基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.