1-Phenylethyl carbamimidothioate
TL;DR: 1-Phenylethyl carbamimidothioate (CAS 46051-05-2) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethyl carbamimidothioate
Also Known As: 1-phenylethyl carbamimidothioate, 1-phenylethyl imidothiocarbamate, (phenylethyl)thiocarboxamidine, 1-phenylethyl imidothiocarbamate hydrobromide, 1-phenylethylsulfanylmethanimidamide
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 2.37427 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 258.49088 |
Chemical Identifiers
| CAS Number | 46051-05-2 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)SC(=N)N |
Product Overview
1-Phenylethyl carbamimidothioate (CAS 46051-05-2), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 1-phenylethyl carbamimidothioate.
Chemical Property Profile of 1-Phenylethyl carbamimidothioate
Property Insights of 1-Phenylethyl carbamimidothioate
The XLogP value of 2.37427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylethyl carbamimidothioate. With a topological polar surface area (TPSA) of 49.87 Ų, 1-Phenylethyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethyl 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 1-Phenylethyl carbamimidothioate?
The CAS number of 1-Phenylethyl carbamimidothioate is 46051-05-2.
What is the molecular formula of 1-Phenylethyl carbamimidothioate?
The molecular formula of 1-Phenylethyl carbamimidothioate is C9H12N2S.
What is the molecular weight of 1-Phenylethyl carbamimidothioate?
The molecular weight of 1-Phenylethyl carbamimidothioate is 180.07 g/mol.
Where can I buy 1-Phenylethyl carbamimidothioate?
You can request a quote for 1-Phenylethyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.