Carbamimidothioic acid, butyl ester, monohydrochloride
TL;DR: Carbamimidothioic acid, butyl ester, monohydrochloride (CAS 18939-69-0) is a chemical compound with molecular formula C5H13ClN2S and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl carbamimidothioate;hydrochloride
Also Known As: 2-Butylisothiouronium chloride, S-(n-Butyl)-isothiourea hydrochloride, (butylsulfanyl)methanimidamide hydrochloride, butyl carbamimidothioate hydrochloride, butyl carbamimidothioate;hydrochloride
| Molecular Formula | C5H13ClN2S |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 1.83 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.0488 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 18939-69-0 |
|---|---|
| SMILES | CCCCSC(=N)N.Cl |
| InChIKey | NKSOMTCINVNMER-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, butyl ester, monohydrochloride (CAS 18939-69-0), with molecular formula C5H13ClN2S and molecular weight 168.05 g/mol. IUPAC: butyl carbamimidothioate;hydrochloride.
Chemical Property Profile of Carbamimidothioic acid, butyl ester, monohydrochloride
Property Insights of Carbamimidothioic acid, butyl ester, monohydrochloride
The XLogP value of 1.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamimidothioic acid, butyl ester, monohydrochloride. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamimidothioic acid, butyl ester, monohydrochloride. Following Lipinski's Rule of Five, Carbamimidothioic acid, butyl ester, monohydrochloride 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 Carbamimidothioic acid, butyl ester, monohydrochloride?
The CAS number of Carbamimidothioic acid, butyl ester, monohydrochloride is 18939-69-0.
What is the molecular formula of Carbamimidothioic acid, butyl ester, monohydrochloride?
The molecular formula of Carbamimidothioic acid, butyl ester, monohydrochloride is C5H13ClN2S.
What is the molecular weight of Carbamimidothioic acid, butyl ester, monohydrochloride?
The molecular weight of Carbamimidothioic acid, butyl ester, monohydrochloride is 168.05 g/mol.
Where can I buy Carbamimidothioic acid, butyl ester, monohydrochloride?
You can request a quote for Carbamimidothioic acid, butyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, butyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, butyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.