2-Propenoic acid, 3-thiocyanato-, (Z)-
TL;DR: 2-Propenoic acid, 3-thiocyanato-, (Z)- (CAS 65200-27-3) is a chemical compound with molecular formula C4H3NO2S and molecular weight 128.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiocyanatoprop-2-enoic acid
Also Known As: 3c-thiocyanato-acrylic acid, 3-thiocyanatoprop-2-enoic acid, 2-Propenoic acid, 3-thiocyanato-, 3-Thiocyanato-2-propenoic acid, 2-Propenoic acid, 3-thiocyanato-, (Z)-
| Molecular Formula | C4H3NO2S |
|---|---|
| Molecular Weight | 128.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.98845 |
| Heavy Atoms | 8 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 65200-27-3 |
|---|---|
| SMILES | C(=CSC#N)C(=O)O |
| InChIKey | OQYPGQSDSUQZBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 3-thiocyanato-, (Z)- (CAS 65200-27-3), with molecular formula C4H3NO2S and molecular weight 128.99 g/mol. IUPAC: 3-thiocyanatoprop-2-enoic acid.
Chemical Property Profile of 2-Propenoic acid, 3-thiocyanato-, (Z)-
Property Insights of 2-Propenoic acid, 3-thiocyanato-, (Z)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-thiocyanato-, (Z)-. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-thiocyanato-, (Z)-. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-thiocyanato-, (Z)- 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 2-Propenoic acid, 3-thiocyanato-, (Z)-?
The CAS number of 2-Propenoic acid, 3-thiocyanato-, (Z)- is 65200-27-3.
What is the molecular formula of 2-Propenoic acid, 3-thiocyanato-, (Z)-?
The molecular formula of 2-Propenoic acid, 3-thiocyanato-, (Z)- is C4H3NO2S.
What is the molecular weight of 2-Propenoic acid, 3-thiocyanato-, (Z)-?
The molecular weight of 2-Propenoic acid, 3-thiocyanato-, (Z)- is 128.99 g/mol.
Where can I buy 2-Propenoic acid, 3-thiocyanato-, (Z)-?
You can request a quote for 2-Propenoic acid, 3-thiocyanato-, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-thiocyanato-, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-thiocyanato-, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.