Thiocyanic acid, diphenylcarbamoylmethyl ester
TL;DR: Thiocyanic acid, diphenylcarbamoylmethyl ester (CAS 73908-98-2) is a chemical compound with molecular formula C15H12N2OS and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(N-phenylanilino)ethyl] thiocyanate
Also Known As: N,N-Diphenyl-2-thiocyanatoacetamide, Thiocyanic acid, diphenylcarbamoylmethyl ester, Acetamide, N,N-diphenyl-2-thiocyanato-, 2-(diphenylamino)-2-oxoethyl thiocyanate, Thiocyanic acid, 2-(diphenylamino)-2-oxoethyl ester
| Molecular Formula | C15H12N2OS |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.56558 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.06705 |
| Heavy Atoms | 19 |
| Complexity | 538.5995 |
Chemical Identifiers
| CAS Number | 73908-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CSC#N |
Product Overview
Thiocyanic acid, diphenylcarbamoylmethyl ester (CAS 73908-98-2), with molecular formula C15H12N2OS and molecular weight 268.07 g/mol. IUPAC: [2-oxo-2-(N-phenylanilino)ethyl] thiocyanate.
Chemical Property Profile of Thiocyanic acid, diphenylcarbamoylmethyl ester
Property Insights of Thiocyanic acid, diphenylcarbamoylmethyl ester
The XLogP value of 3.56558 indicates that Thiocyanic acid, diphenylcarbamoylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, Thiocyanic acid, diphenylcarbamoylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiocyanic acid, diphenylcarbamoylmethyl ester has 0 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 Thiocyanic acid, diphenylcarbamoylmethyl ester?
The CAS number of Thiocyanic acid, diphenylcarbamoylmethyl ester is 73908-98-2.
What is the molecular formula of Thiocyanic acid, diphenylcarbamoylmethyl ester?
The molecular formula of Thiocyanic acid, diphenylcarbamoylmethyl ester is C15H12N2OS.
What is the molecular weight of Thiocyanic acid, diphenylcarbamoylmethyl ester?
The molecular weight of Thiocyanic acid, diphenylcarbamoylmethyl ester is 268.07 g/mol.
Where can I buy Thiocyanic acid, diphenylcarbamoylmethyl ester?
You can request a quote for Thiocyanic acid, diphenylcarbamoylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiocyanic acid, diphenylcarbamoylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Thiocyanic acid, diphenylcarbamoylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.