(E)-3-carbamothioylsulfanylprop-2-enoic acid
TL;DR: (E)-3-carbamothioylsulfanylprop-2-enoic acid (CAS 25858-77-9) is a chemical compound with molecular formula C4H5NO2S2 and molecular weight 162.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-carbamothioylsulfanylprop-2-enoic acid
Also Known As: S-beta-carboxyvinyl dithiocarbamate, (E)-3-carbamothioylsulfanylprop-2-enoic acid, (2E)-3-(Carbamothioylsulfanyl)prop-2-enoic acid
| Molecular Formula | C4H5NO2S2 |
|---|---|
| Molecular Weight | 162.98 g/mol |
| LogP | 0.5615 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.97617 |
| Heavy Atoms | 9 |
| Complexity | 154.64662 |
Chemical Identifiers
| CAS Number | 25858-77-9 |
|---|---|
| SMILES | C(=C/SC(=S)N)\C(=O)O |
Product Overview
(E)-3-carbamothioylsulfanylprop-2-enoic acid (CAS 25858-77-9), with molecular formula C4H5NO2S2 and molecular weight 162.98 g/mol. IUPAC: (E)-3-carbamothioylsulfanylprop-2-enoic acid.
Chemical Property Profile of (E)-3-carbamothioylsulfanylprop-2-enoic acid
Property Insights of (E)-3-carbamothioylsulfanylprop-2-enoic acid
The XLogP value of 0.5615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-carbamothioylsulfanylprop-2-enoic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-carbamothioylsulfanylprop-2-enoic acid. Following Lipinski's Rule of Five, (E)-3-carbamothioylsulfanylprop-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-carbamothioylsulfanylprop-2-enoic acid?
The CAS number of (E)-3-carbamothioylsulfanylprop-2-enoic acid is 25858-77-9.
What is the molecular formula of (E)-3-carbamothioylsulfanylprop-2-enoic acid?
The molecular formula of (E)-3-carbamothioylsulfanylprop-2-enoic acid is C4H5NO2S2.
What is the molecular weight of (E)-3-carbamothioylsulfanylprop-2-enoic acid?
The molecular weight of (E)-3-carbamothioylsulfanylprop-2-enoic acid is 162.98 g/mol.
Where can I buy (E)-3-carbamothioylsulfanylprop-2-enoic acid?
You can request a quote for (E)-3-carbamothioylsulfanylprop-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-carbamothioylsulfanylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-carbamothioylsulfanylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.