2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide
TL;DR: 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide (CAS 329079-21-2) is a chemical compound with molecular formula C15H13ClN2OS and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide
Also Known As: 1-(benzylcarbamothioyl)-N-(3-chlorophenyl)formamide, 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide, 2-(benzylamino)-N-(3-chlorophenyl)-2-thioxoacetamide, N-(3-chlorophenyl)-2-[benzylamino]-2-thioxoacetamide, N-(3-Chlorophenyl)-2-[(phenylmethyl)amino]-2-thioxoacetamide
| Molecular Formula | C15H13ClN2OS |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0437 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 329079-21-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=S)C(=O)NC2=CC(=CC=C2)Cl |
| InChIKey | AOSXGISKRCGNSV-UHFFFAOYSA-N |
Product Overview
2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide (CAS 329079-21-2), with molecular formula C15H13ClN2OS and molecular weight 304.04 g/mol. IUPAC: 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide.
Chemical Property Profile of 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide
Property Insights of 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide
The XLogP value of 3.5 indicates that 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide. Following Lipinski's Rule of Five, 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide 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 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide?
The CAS number of 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide is 329079-21-2.
What is the molecular formula of 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide?
The molecular formula of 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide is C15H13ClN2OS.
What is the molecular weight of 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide?
The molecular weight of 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide is 304.04 g/mol.
Where can I buy 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide?
You can request a quote for 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylamino)-N-(3-chlorophenyl)-2-sulfanylideneacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.