Benzyl Carbamimidothioate
TL;DR: Benzyl Carbamimidothioate (CAS 621-85-2) is a chemical compound with molecular formula C8H10N2S and molecular weight 166.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl carbamimidothioate
Also Known As: S-Benzylthiourea, Benzylisothiourea, benzyl carbamimidothioate, s-benzylisothiourea, Benzylthiopseudourea
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10N2S |
| Molecular Weight | 166.05647 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.05647 Da |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
| SMILES | C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | GTRLQRHWPXEBLF-UHFFFAOYSA-N |
Product Description
Applications: Benzyl Carbamimidothioate 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. CoreyChem supplies Benzyl Carbamimidothioate (CAS 621-85-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzyl Carbamimidothioate is a heterocyclic building block identified by CAS number 621-85-2 and the molecular formula C8H10N2S and a molecular weight of 166.06 g/mol. It is also known as S-Benzylthiourea and Benzylisothiourea.
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 Benzyl Carbamimidothioate
Property Insights of Benzyl Carbamimidothioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl Carbamimidothioate. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl Carbamimidothioate. Following Lipinski's Rule of Five, Benzyl Carbamimidothioate 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
What is the CAS number of Benzyl Carbamimidothioate?
The CAS number of Benzyl Carbamimidothioate is 621-85-2.
What is the molecular formula of Benzyl Carbamimidothioate?
The molecular formula of Benzyl Carbamimidothioate is C8H10N2S.
What is the molecular weight of Benzyl Carbamimidothioate?
The molecular weight of Benzyl Carbamimidothioate is 166.05647 g/mol.
What are the applications of Benzyl Carbamimidothioate?
Benzyl Carbamimidothioate 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. CoreyChem supplies Benzyl Carbamimidothioate...
Where can I buy Benzyl Carbamimidothioate?
You can request a quote for Benzyl Carbamimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl Carbamimidothioate?
Yes, CoreyChem provides custom synthesis services for Benzyl Carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.