Prop-2-ynyl carbamimidothioate
TL;DR: Prop-2-ynyl carbamimidothioate (CAS 70104-58-4) is a chemical compound with molecular formula C4H6N2S and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl carbamimidothioate
Also Known As: prop-2-ynyl carbamimidothioate, 2-prop-2-ynylisothiourea, (Prop-2-yn-1-ylsulfanyl)methanimidamide, Prop-2-yn-1-yl carbamimidothioate, prop-2-ynylsulfanylmethanimidamide
| Molecular Formula | C4H6N2S |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.02517 |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 70104-58-4 |
|---|---|
| SMILES | C#CCSC(=N)N |
| InChIKey | CPRHDNAFELKMOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-ynyl carbamimidothioate (CAS 70104-58-4), with molecular formula C4H6N2S and molecular weight 114.03 g/mol. IUPAC: prop-2-ynyl carbamimidothioate.
Chemical Property Profile of Prop-2-ynyl carbamimidothioate
Property Insights of Prop-2-ynyl carbamimidothioate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-ynyl carbamimidothioate. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Prop-2-ynyl carbamimidothioate. Following Lipinski's Rule of Five, Prop-2-ynyl carbamimidothioate 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 Prop-2-ynyl carbamimidothioate?
The CAS number of Prop-2-ynyl carbamimidothioate is 70104-58-4.
What is the molecular formula of Prop-2-ynyl carbamimidothioate?
The molecular formula of Prop-2-ynyl carbamimidothioate is C4H6N2S.
What is the molecular weight of Prop-2-ynyl carbamimidothioate?
The molecular weight of Prop-2-ynyl carbamimidothioate is 114.03 g/mol.
Where can I buy Prop-2-ynyl carbamimidothioate?
You can request a quote for Prop-2-ynyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.