3-Phenylprop-2-yn-1-yl carbamimidothioate
TL;DR: 3-Phenylprop-2-yn-1-yl carbamimidothioate (CAS 753428-82-9) is a chemical compound with molecular formula C10H10N2S and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-ynyl carbamimidothioate
Also Known As: 3-phenylprop-2-ynyl carbamimidothioate, 3-Phenylprop-2-yn-1-yl carbamimidothioate, 3-phenyl-2-propyn-1-yl imidothiocarbamate hydrochloride
| Molecular Formula | C10H10N2S |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.66477 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.05647 |
| Heavy Atoms | 13 |
| Complexity | 334.93753 |
Chemical Identifiers
| CAS Number | 753428-82-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CCSC(=N)N |
Product Overview
3-Phenylprop-2-yn-1-yl carbamimidothioate (CAS 753428-82-9), with molecular formula C10H10N2S and molecular weight 190.06 g/mol. IUPAC: 3-phenylprop-2-ynyl carbamimidothioate.
Chemical Property Profile of 3-Phenylprop-2-yn-1-yl carbamimidothioate
Property Insights of 3-Phenylprop-2-yn-1-yl carbamimidothioate
The XLogP value of 1.66477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylprop-2-yn-1-yl carbamimidothioate. With a topological polar surface area (TPSA) of 49.87 Ų, 3-Phenylprop-2-yn-1-yl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylprop-2-yn-1-yl 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 3-Phenylprop-2-yn-1-yl carbamimidothioate?
The CAS number of 3-Phenylprop-2-yn-1-yl carbamimidothioate is 753428-82-9.
What is the molecular formula of 3-Phenylprop-2-yn-1-yl carbamimidothioate?
The molecular formula of 3-Phenylprop-2-yn-1-yl carbamimidothioate is C10H10N2S.
What is the molecular weight of 3-Phenylprop-2-yn-1-yl carbamimidothioate?
The molecular weight of 3-Phenylprop-2-yn-1-yl carbamimidothioate is 190.06 g/mol.
Where can I buy 3-Phenylprop-2-yn-1-yl carbamimidothioate?
You can request a quote for 3-Phenylprop-2-yn-1-yl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylprop-2-yn-1-yl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylprop-2-yn-1-yl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.