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1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea
TL;DR: 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea (CAS 590358-84-2) is a chemical compound with molecular formula C16H15Cl2N3OS2 and molecular weight 399.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea
Also Known As: 1-[(2-benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea, 3-[(2-benzylsulfanylacetyl)amino]-1-(3,5-dichlorophenyl)thiourea, 2-[(benzylsulfanyl)acetyl]-N-(3,5-dichlorophenyl)hydrazinecarbothioamide, N-({[(3,5-dichlorophenyl)amino]thioxomethyl}amino)-2-(phenylmethylthio)acetami de
| Molecular Formula | C16H15Cl2N3OS2 |
|---|---|
| Molecular Weight | 399.00 g/mol |
| LogP | 4.2444 |
| Topological Polar Surface Area | 53.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.00336 |
| Heavy Atoms | 24 |
| Complexity | 693.47363 |
Chemical Identifiers
| CAS Number | 590358-84-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=CC(=CC(=C2)Cl)Cl |
Product Overview
1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea (CAS 590358-84-2), with molecular formula C16H15Cl2N3OS2 and molecular weight 399.00 g/mol. IUPAC: 1-[(2-benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea.
Chemical Property Profile of 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea
Property Insights of 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea
The XLogP value of 4.2444 indicates that 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)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-(3,5-dichlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)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-(3,5-dichlorophenyl)thiourea?
The CAS number of 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea is 590358-84-2.
What is the molecular formula of 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea?
The molecular formula of 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea is C16H15Cl2N3OS2.
What is the molecular weight of 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea?
The molecular weight of 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea is 399.00 g/mol.
Where can I buy 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea?
You can request a quote for 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)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-(3,5-dichlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Benzylsulfanylacetyl)amino]-3-(3,5-dichlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.