Phenylcarbonyl carbamimidothioate
TL;DR: Phenylcarbonyl carbamimidothioate (CAS 24523-92-0) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-carbamimidoyl benzenecarbothioate
Also Known As: S-Benzoylisothiourea, S-benzoyl isothiourea, phenylcarbonyl carbamimidothioate, S-carbamimidoyl benzenecarbothioate, Benzoylsulfanylmethanimidamide
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.45347 |
| Topological Polar Surface Area | 66.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 297.18597 |
Chemical Identifiers
| CAS Number | 24523-92-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC(=N)N |
Product Overview
Phenylcarbonyl carbamimidothioate (CAS 24523-92-0), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: S-carbamimidoyl benzenecarbothioate.
Chemical Property Profile of Phenylcarbonyl carbamimidothioate
Property Insights of Phenylcarbonyl carbamimidothioate
The XLogP value of 1.45347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylcarbonyl carbamimidothioate. The TPSA of 66.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylcarbonyl carbamimidothioate. Following Lipinski's Rule of Five, Phenylcarbonyl carbamimidothioate has 2 hydrogen bond donor(s) and 3 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 Phenylcarbonyl carbamimidothioate?
The CAS number of Phenylcarbonyl carbamimidothioate is 24523-92-0.
What is the molecular formula of Phenylcarbonyl carbamimidothioate?
The molecular formula of Phenylcarbonyl carbamimidothioate is C8H8N2OS.
What is the molecular weight of Phenylcarbonyl carbamimidothioate?
The molecular weight of Phenylcarbonyl carbamimidothioate is 180.04 g/mol.
Where can I buy Phenylcarbonyl carbamimidothioate?
You can request a quote for Phenylcarbonyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylcarbonyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for Phenylcarbonyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.