S-ethylisothiourea hydrochloride
TL;DR: S-ethylisothiourea hydrochloride (CAS 13882-28-5) is a chemical compound with molecular formula C3H9ClN2S and molecular weight 140.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl carbamimidothioate;hydrochloride
Also Known As: S-ethylisothiourea hydrochloride, Ethyl carbamimidothioate hydrochloride, Ethylsulfanylmethanimidamide Hydrochloride
| Molecular Formula | C3H9ClN2S |
|---|---|
| Molecular Weight | 140.02 g/mol |
| LogP | 1.05477 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.0175 |
| Heavy Atoms | 7 |
| Complexity | 56.8966 |
Chemical Identifiers
| CAS Number | 13882-28-5 |
|---|---|
| SMILES | CCSC(=N)N.Cl |
Product Overview
S-ethylisothiourea hydrochloride (CAS 13882-28-5), with molecular formula C3H9ClN2S and molecular weight 140.02 g/mol. IUPAC: ethyl carbamimidothioate;hydrochloride.
Chemical Property Profile of S-ethylisothiourea hydrochloride
Property Insights of S-ethylisothiourea hydrochloride
The XLogP value of 1.05477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-ethylisothiourea hydrochloride. With a topological polar surface area (TPSA) of 49.87 Ų, S-ethylisothiourea hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethylisothiourea hydrochloride 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 S-ethylisothiourea hydrochloride?
The CAS number of S-ethylisothiourea hydrochloride is 13882-28-5.
What is the molecular formula of S-ethylisothiourea hydrochloride?
The molecular formula of S-ethylisothiourea hydrochloride is C3H9ClN2S.
What is the molecular weight of S-ethylisothiourea hydrochloride?
The molecular weight of S-ethylisothiourea hydrochloride is 140.02 g/mol.
Where can I buy S-ethylisothiourea hydrochloride?
You can request a quote for S-ethylisothiourea hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethylisothiourea hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for S-ethylisothiourea hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.