![Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate structure](/static/products/3244/32444-37-4.webp)
Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate
TL;DR: Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate (CAS 32444-37-4) is a chemical compound with molecular formula C9H13NO4S and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(prop-2-enylcarbamothioyl)propanedioate
Also Known As: dimethyl 2-(prop-2-enylcarbamothioyl)propanedioate, Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate
| Molecular Formula | C9H13NO4S |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 0.0516 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.05653 |
| Heavy Atoms | 15 |
| Complexity | 261.28592 |
Chemical Identifiers
| CAS Number | 32444-37-4 |
|---|---|
| SMILES | COC(=O)C(C(=S)NCC=C)C(=O)OC |
Product Overview
Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate (CAS 32444-37-4), with molecular formula C9H13NO4S and molecular weight 231.06 g/mol. IUPAC: dimethyl 2-(prop-2-enylcarbamothioyl)propanedioate.
Chemical Property Profile of Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate
Property Insights of Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate
The XLogP value of 0.0516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate. Following Lipinski's Rule of Five, Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate 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 Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate?
The CAS number of Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate is 32444-37-4.
What is the molecular formula of Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate?
The molecular formula of Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate is C9H13NO4S.
What is the molecular weight of Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate?
The molecular weight of Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate is 231.06 g/mol.
Where can I buy Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate?
You can request a quote for Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl [(prop-2-en-1-yl)carbamothioyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.