S-Benzylthiuronium chloride
TL;DR: S-Benzylthiuronium chloride (CAS 538-28-3) is a chemical compound with molecular formula C8H11ClN2S and molecular weight 202.03314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl carbamimidothioate;hydrochloride
Also Known As: S-Benzylisothiourea hydrochloride, 2-Benzyl-2-thiopseudourea hydrochloride, BTKH, benzyl carbamimidothioate hydrochloride, S-Benzylthiuronium chloride
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11ClN2S |
| Molecular Weight | 202.03314 g/mol |
| XLogP | 2.24 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.03314 Da |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
| SMILES | C1=CC=C(C=C1)CSC(=N)N.Cl |
| InChIKey | WJAASTDRAAMYNK-UHFFFAOYSA-N |
Product Description
Applications: S-Benzylthiuronium chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
S-Benzylthiuronium chloride (CAS 538-28-3) is a heterocyclic building block with the molecular formula C8H11ClN2S and a molecular weight of 202.03 g/mol. Synonyms include S-Benzylisothiourea hydrochloride and 2-Benzyl-2-thiopseudourea hydrochloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of S-Benzylthiuronium chloride
Property Insights of S-Benzylthiuronium chloride
The XLogP value of 2.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-Benzylthiuronium chloride. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Benzylthiuronium chloride. Following Lipinski's Rule of Five, S-Benzylthiuronium chloride 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
What is the CAS number of S-Benzylthiuronium chloride?
The CAS number of S-Benzylthiuronium chloride is 538-28-3.
What is the molecular formula of S-Benzylthiuronium chloride?
The molecular formula of S-Benzylthiuronium chloride is C8H11ClN2S.
What is the molecular weight of S-Benzylthiuronium chloride?
The molecular weight of S-Benzylthiuronium chloride is 202.03314 g/mol.
What are the applications of S-Benzylthiuronium chloride?
S-Benzylthiuronium chloride is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy S-Benzylthiuronium chloride?
You can request a quote for S-Benzylthiuronium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Benzylthiuronium chloride?
Yes, CoreyChem provides custom synthesis services for S-Benzylthiuronium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.