Benzyl Carbamimidothioate
TL;DR: Benzyl Carbamimidothioate (CAS 621-85-2) is a chemical compound with molecular formula C8H10N2S and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl carbamimidothioate
Also Known As: S-Benzylthiourea, Benzylisothiourea, benzyl carbamimidothioate, s-benzylisothiourea, Benzylthiopseudourea
| Molecular Formula | C8H10N2S |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.05647 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 621-85-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=N)N |
| InChIKey | GTRLQRHWPXEBLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl Carbamimidothioate (CAS 621-85-2), with molecular formula C8H10N2S and molecular weight 166.06 g/mol. IUPAC: benzyl carbamimidothioate.
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
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 166.06 g/mol.
Where can I buy Benzyl Carbamimidothioate?
You can request a quote for Benzyl Carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl Carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl Carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.