Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester
TL;DR: Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester (CAS 33328-23-3) is a chemical compound with molecular formula C17H20N2S and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N,N-diethyl-N'-phenylcarbamimidothioate
Also Known As: 1,1-Diethyl-2,3-diphenylisothiourea, phenyl N,N-diethyl-N'-phenylcarbamimidothioate, J1.789.973B, phenyl-N,N-diethyl-N'-phenylcarbamimidothioate, Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester
| Molecular Formula | C17H20N2S |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 4.8082 |
| Topological Polar Surface Area | 15.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.1347 |
| Heavy Atoms | 20 |
| Complexity | 533.43115 |
Chemical Identifiers
| CAS Number | 33328-23-3 |
|---|---|
| SMILES | CCN(CC)C(=NC1=CC=CC=C1)SC2=CC=CC=C2 |
Product Overview
Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester (CAS 33328-23-3), with molecular formula C17H20N2S and molecular weight 284.13 g/mol. IUPAC: phenyl N,N-diethyl-N'-phenylcarbamimidothioate.
Chemical Property Profile of Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester
Property Insights of Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester
The XLogP value of 4.8082 indicates that Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.6 Ų, Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester has 0 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 Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester?
The CAS number of Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester is 33328-23-3.
What is the molecular formula of Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester?
The molecular formula of Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester is C17H20N2S.
What is the molecular weight of Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester?
The molecular weight of Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester is 284.13 g/mol.
Where can I buy Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester?
You can request a quote for Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, N,N-diethyl-N'-phenyl-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.