Bromoethylisothiourea
TL;DR: Bromoethylisothiourea (CAS 86803-22-7) is a chemical compound with molecular formula C(CBr)SC(=N)N and molecular weight 181.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethyl carbamimidothioate
Also Known As: Bromoethylisothiourea, Mesna Impurity 11, 2-Bromoethyl carbamimidothioate, Carbamimidothioic acid, 2-bromoethyl ester, RefChem:121589
| Molecular Formula | C(CBr)SC(=N)N |
|---|---|
| Molecular Weight | 181.95 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.95132 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 86803-22-7 |
|---|---|
| SMILES | C(CBr)SC(=N)N |
| InChIKey | ZURWKGUSSLKXNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromoethylisothiourea (CAS 86803-22-7), with molecular formula C(CBr)SC(=N)N and molecular weight 181.95 g/mol. IUPAC: 2-bromoethyl carbamimidothioate.
Chemical Property Profile of Bromoethylisothiourea
Property Insights of Bromoethylisothiourea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromoethylisothiourea. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromoethylisothiourea. Following Lipinski's Rule of Five, Bromoethylisothiourea 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 Bromoethylisothiourea?
The CAS number of Bromoethylisothiourea is 86803-22-7.
What is the molecular formula of Bromoethylisothiourea?
The molecular formula of Bromoethylisothiourea is C(CBr)SC(=N)N.
What is the molecular weight of Bromoethylisothiourea?
The molecular weight of Bromoethylisothiourea is 181.95 g/mol.
Where can I buy Bromoethylisothiourea?
You can request a quote for Bromoethylisothiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoethylisothiourea?
Yes, KEHONG BIO provides custom synthesis services for Bromoethylisothiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.