3-Oxopyrazolidine-1-carbothioamide
TL;DR: 3-Oxopyrazolidine-1-carbothioamide (CAS 80553-53-3) is a chemical compound with molecular formula C4H7N3OS and molecular weight 145.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxopyrazolidine-1-carbothioamide
Also Known As: 3-oxopyrazolidine-1-carbothioamide, 1-Pyrazolidinecarbothioamide, 3-oxo- (9CI)
| Molecular Formula | C4H7N3OS |
|---|---|
| Molecular Weight | 145.03 g/mol |
| LogP | -1.0331 |
| Topological Polar Surface Area | 58.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.03099 |
| Heavy Atoms | 9 |
| Complexity | 157.89174 |
Chemical Identifiers
| CAS Number | 80553-53-3 |
|---|---|
| SMILES | C1CN(NC1=O)C(=S)N |
Product Overview
3-Oxopyrazolidine-1-carbothioamide (CAS 80553-53-3), with molecular formula C4H7N3OS and molecular weight 145.03 g/mol. IUPAC: 3-oxopyrazolidine-1-carbothioamide.
Chemical Property Profile of 3-Oxopyrazolidine-1-carbothioamide
Property Insights of 3-Oxopyrazolidine-1-carbothioamide
The XLogP value of -1.0331 indicates that 3-Oxopyrazolidine-1-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.36 Ų, 3-Oxopyrazolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxopyrazolidine-1-carbothioamide has 2 hydrogen bond donor(s) and 2 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 3-Oxopyrazolidine-1-carbothioamide?
The CAS number of 3-Oxopyrazolidine-1-carbothioamide is 80553-53-3.
What is the molecular formula of 3-Oxopyrazolidine-1-carbothioamide?
The molecular formula of 3-Oxopyrazolidine-1-carbothioamide is C4H7N3OS.
What is the molecular weight of 3-Oxopyrazolidine-1-carbothioamide?
The molecular weight of 3-Oxopyrazolidine-1-carbothioamide is 145.03 g/mol.
Where can I buy 3-Oxopyrazolidine-1-carbothioamide?
You can request a quote for 3-Oxopyrazolidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxopyrazolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxopyrazolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.