(E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid
TL;DR: (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid (CAS 25858-78-0) is a chemical compound with molecular formula C5H7NO2S2 and molecular weight 176.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid
Also Known As: S-beta-carboxyvinyl N-methyldithiocarbamate, 3-(methylthiocarbamoylsulfanyl)prop-2-enoic Acid, (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid
| Molecular Formula | C5H7NO2S2 |
|---|---|
| Molecular Weight | 176.99 g/mol |
| LogP | 0.8222 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.99182 |
| Heavy Atoms | 10 |
| Complexity | 167.03088 |
Chemical Identifiers
| CAS Number | 25858-78-0 |
|---|---|
| SMILES | CNC(=S)S/C=C/C(=O)O |
Product Overview
(E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid (CAS 25858-78-0), with molecular formula C5H7NO2S2 and molecular weight 176.99 g/mol. IUPAC: (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid.
Chemical Property Profile of (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid
Property Insights of (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid
The XLogP value of 0.8222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 49.33 Ų, (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid has 2 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 (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid?
The CAS number of (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid is 25858-78-0.
What is the molecular formula of (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid?
The molecular formula of (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid is C5H7NO2S2.
What is the molecular weight of (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid?
The molecular weight of (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid is 176.99 g/mol.
Where can I buy (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid?
You can request a quote for (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(methylcarbamothioylsulfanyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.