![1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea structure](/static/products/3571/357178-05-3.webp)
1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea
TL;DR: 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea (CAS 357178-05-3) is a chemical compound with molecular formula C16H17ClN2S2 and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-phenylthiourea
Also Known As: BIM-0027538.P001, 1-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea, AB00092737-01, N-{2-[(4-chlorobenzyl)thio]ethyl}-N'-phenylthiourea, 1-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-phenylthiourea
| Molecular Formula | C16H17ClN2S2 |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 4.5598 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.05215 |
| Heavy Atoms | 21 |
| Complexity | 558.24945 |
Chemical Identifiers
| CAS Number | 357178-05-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=C(C=C2)Cl |
Product Overview
1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea (CAS 357178-05-3), with molecular formula C16H17ClN2S2 and molecular weight 336.05 g/mol. IUPAC: 1-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-phenylthiourea.
Chemical Property Profile of 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea
Property Insights of 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea
The XLogP value of 4.5598 indicates that 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea 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 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea?
The CAS number of 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea is 357178-05-3.
What is the molecular formula of 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea?
The molecular formula of 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea is C16H17ClN2S2.
What is the molecular weight of 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea?
The molecular weight of 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea is 336.05 g/mol.
Where can I buy 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea?
You can request a quote for 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-[(4-Chlorobenzyl)sulfanyl]ethyl}-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.