2-Oxopropyl carbamimidothioate
TL;DR: 2-Oxopropyl carbamimidothioate (CAS 701189-85-7) is a chemical compound with molecular formula C4H8N2OS and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxopropyl carbamimidothioate
Also Known As: 2-oxopropyl carbamimidothioate, Carbamimidothioic acid,2-oxopropyl ester, Carbamimidothioicacid,2-oxopropylester, Carbamimidothioic acid, 2-oxopropyl ester (9CI)
| Molecular Formula | C4H8N2OS |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.03574 |
| Heavy Atoms | 8 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 701189-85-7 |
|---|---|
| SMILES | CC(=O)CSC(=N)N |
| InChIKey | XNIYJBZZBOHIQK-UHFFFAOYSA-N |
Product Overview
2-Oxopropyl carbamimidothioate (CAS 701189-85-7), with molecular formula C4H8N2OS and molecular weight 132.04 g/mol. IUPAC: 2-oxopropyl carbamimidothioate.
Chemical Property Profile of 2-Oxopropyl carbamimidothioate
Property Insights of 2-Oxopropyl carbamimidothioate
The XLogP value of -0.1 indicates that 2-Oxopropyl carbamimidothioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxopropyl carbamimidothioate. Following Lipinski's Rule of Five, 2-Oxopropyl carbamimidothioate 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 2-Oxopropyl carbamimidothioate?
The CAS number of 2-Oxopropyl carbamimidothioate is 701189-85-7.
What is the molecular formula of 2-Oxopropyl carbamimidothioate?
The molecular formula of 2-Oxopropyl carbamimidothioate is C4H8N2OS.
What is the molecular weight of 2-Oxopropyl carbamimidothioate?
The molecular weight of 2-Oxopropyl carbamimidothioate is 132.04 g/mol.
Where can I buy 2-Oxopropyl carbamimidothioate?
You can request a quote for 2-Oxopropyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxopropyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxopropyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.