2-(Dimethylamino)-1-phenylethyl carbamimidothioate
TL;DR: 2-(Dimethylamino)-1-phenylethyl carbamimidothioate (CAS 63680-44-4) is a chemical compound with molecular formula C11H17N3S and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylamino)-1-phenylethyl] carbamimidothioate
Also Known As: 2-(Dimethylamino)-1-phenylethyl carbamimidothioate, [2-(dimethylamino)-1-phenylethyl] carbamimidothioate, (2-dimethylamino-1-phenyl-ethyl)sulfanylmethanimidamide
| Molecular Formula | C11H17N3S |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.11432 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 63680-44-4 |
|---|---|
| SMILES | CN(C)CC(C1=CC=CC=C1)SC(=N)N |
| InChIKey | XVASRXGJGAQIMI-UHFFFAOYSA-N |
Product Overview
2-(Dimethylamino)-1-phenylethyl carbamimidothioate (CAS 63680-44-4), with molecular formula C11H17N3S and molecular weight 223.11 g/mol. IUPAC: [2-(dimethylamino)-1-phenylethyl] carbamimidothioate.
Chemical Property Profile of 2-(Dimethylamino)-1-phenylethyl carbamimidothioate
Property Insights of 2-(Dimethylamino)-1-phenylethyl carbamimidothioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dimethylamino)-1-phenylethyl carbamimidothioate. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dimethylamino)-1-phenylethyl carbamimidothioate. Following Lipinski's Rule of Five, 2-(Dimethylamino)-1-phenylethyl 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 2-(Dimethylamino)-1-phenylethyl carbamimidothioate?
The CAS number of 2-(Dimethylamino)-1-phenylethyl carbamimidothioate is 63680-44-4.
What is the molecular formula of 2-(Dimethylamino)-1-phenylethyl carbamimidothioate?
The molecular formula of 2-(Dimethylamino)-1-phenylethyl carbamimidothioate is C11H17N3S.
What is the molecular weight of 2-(Dimethylamino)-1-phenylethyl carbamimidothioate?
The molecular weight of 2-(Dimethylamino)-1-phenylethyl carbamimidothioate is 223.11 g/mol.
Where can I buy 2-(Dimethylamino)-1-phenylethyl carbamimidothioate?
You can request a quote for 2-(Dimethylamino)-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 2-(Dimethylamino)-1-phenylethyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylamino)-1-phenylethyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.