But-2-enyl carbamimidothioate;hydrochloride
TL;DR: But-2-enyl carbamimidothioate;hydrochloride (CAS 68298-25-9) is a chemical compound with molecular formula C5H11ClN2S and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enyl carbamimidothioate;hydrochloride
Also Known As: Carbamimidothioic acid, 2-butenyl ester, monohydrochloride, Carbamimidothioic acid, 2-buten-1-yl ester, hydrochloride (1:1)
| Molecular Formula | C5H11ClN2S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | 1.61 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.03314 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 68298-25-9 |
|---|---|
| SMILES | CC=CCSC(=N)N.Cl |
| InChIKey | AMKXFQHNMLLTDZ-UHFFFAOYSA-N |
Product Overview
But-2-enyl carbamimidothioate;hydrochloride (CAS 68298-25-9), with molecular formula C5H11ClN2S and molecular weight 166.03 g/mol. IUPAC: but-2-enyl carbamimidothioate;hydrochloride.
Chemical Property Profile of But-2-enyl carbamimidothioate;hydrochloride
Property Insights of But-2-enyl carbamimidothioate;hydrochloride
The XLogP value of 1.61 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enyl carbamimidothioate;hydrochloride. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enyl carbamimidothioate;hydrochloride. Following Lipinski's Rule of Five, But-2-enyl carbamimidothioate;hydrochloride has 3 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 But-2-enyl carbamimidothioate;hydrochloride?
The CAS number of But-2-enyl carbamimidothioate;hydrochloride is 68298-25-9.
What is the molecular formula of But-2-enyl carbamimidothioate;hydrochloride?
The molecular formula of But-2-enyl carbamimidothioate;hydrochloride is C5H11ClN2S.
What is the molecular weight of But-2-enyl carbamimidothioate;hydrochloride?
The molecular weight of But-2-enyl carbamimidothioate;hydrochloride is 166.03 g/mol.
Where can I buy But-2-enyl carbamimidothioate;hydrochloride?
You can request a quote for But-2-enyl carbamimidothioate;hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enyl carbamimidothioate;hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for But-2-enyl carbamimidothioate;hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.