![1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea structure](/static/products/5903/590358-76-2.webp)
1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea
TL;DR: 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea (CAS 590358-76-2) is a chemical compound with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea
Also Known As: 1-[(2-benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea, 3-[(2-benzylsulfanylacetyl)amino]-1-(2,5-dimethylphenyl)thiourea, 2-[(benzylsulfanyl)acetyl]-N-(2,5-dimethylphenyl)hydrazinecarbothioamide, N-({[(2,5-dimethylphenyl)amino]thioxomethyl}amino)-2-(phenylmethylthio)acetami de
| Molecular Formula | C18H21N3OS2 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 3.55444 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.1126 |
| Heavy Atoms | 24 |
| Complexity | 704.665 |
Chemical Identifiers
| CAS Number | 590358-76-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=S)NNC(=O)CSCC2=CC=CC=C2 |
Product Overview
1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea (CAS 590358-76-2), with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol. IUPAC: 1-[(2-benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea.
Chemical Property Profile of 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea
Property Insights of 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea
The XLogP value of 3.55444 indicates that 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.16 Ų, 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea has 3 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 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea?
The CAS number of 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea is 590358-76-2.
What is the molecular formula of 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea?
The molecular formula of 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea is C18H21N3OS2.
What is the molecular weight of 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea?
The molecular weight of 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea is 359.11 g/mol.
Where can I buy 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea?
You can request a quote for 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Benzylsulfanylacetyl)amino]-3-(2,5-dimethylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.